A0A087Y7Z6_POEFO Loading...

ERBB receptor feedback inhibitor 1a

AlphaFold DB , UniProt , Accession A0A087Y7Z6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low43.7Very low248 Ų248157.7 Ų157.7100%1.22286%0.858SS**  01500-74.9155.865.500108.5
2R42.9Very low43.8Very low230 Ų230155.1 Ų155.187%0.86885%0.85SS**  trans-85.7152-177-64.4176176.2169.1-3.2111.6
3S44.9Very low43.5Very low119 Ų119148.1 Ų148.183%0.83284%0.836SS**  trans-150.8111.7143.847.40000109.9
4N43.7Very low43.7Very low141 Ų141149.3 Ų149.375%0.75484%0.838SS**  trans-83.9127.7178.3-58.3-21.9000109.3A6N4-A6 PolarHBondContact O-N 3.38Å
5C47.6Very low43.8Very low123 Ų123148.7 Ų148.783%0.83184%0.839SS**  trans-86.987.5167.8-70.30000110.1
6A44.4Very low44Very low87 Ų87145.7 Ų145.772%0.71984%0.839SS**  trans-72.7133167.800000110N4 S8N4-A6 PolarHBondContact O-N 3.38Å; A6-S8 PolarHBondContact O-N 3.48Å
7W43.4Very low44.3Very low251 Ų251147.3 Ų147.395%0.95184%0.837SS**  trans-83.1111172.9-80.735.1000109.9M9W7-M9 PolarHBondContact O-N 3.35Å
8S47.1Very low44.6Very low117 Ų117148.9 Ų148.982%0.81884%0.836SS**  trans-74.1121.6173.2-63.50000110.9A6 S10A6-S8 PolarHBondContact O-N 3.48Å; S8-S10 PolarHBondContact O-N 3.34Å
9M35.9Very low44.8Very low181 Ų181149.2 Ų149.289%0.89283%0.834SS**  trans-71.8108.9166.4-73.9176.357.400109.7W7 T11W7-M9 PolarHBondContact O-N 3.35Å; M9-T11 PolarHBondContact O-N 2.96Å
10S40.2Very low44.9Very low108 Ų108147.7 Ų147.776%0.75583%0.834SS**  trans-81.6111172.1-172.30000110.3S8 V12S8-S10 PolarHBondContact O-N 3.34Å; S10-V12 PolarHBondContact O-N 3.44Å
11T49Very low45.2Very low130 Ų130147.4 Ų147.480%0.79883%0.829SS**  trans-73.4105.4170.649.60000109.7M9 G13M9-T11 PolarHBondContact O-N 2.96Å; T11-G13 PolarHBondContact O-N 2.87Å; T11-G13 VanDerWaalsContact O-N 3.14Å
12V45.9Very low45.3Very low126 Ų126141.6 Ų141.676%0.76481%0.81SS**  trans-70.6108.1171.7177.50000108.9S10 L14S10-V12 PolarHBondContact O-N 3.44Å; V12-L14 PolarHBondContact O-N 3.45Å
13G39.4Very low45.9Very low64 Ų64137.3 Ų137.366%0.6681%0.81SS**  trans-70.8124173.100000111.1T11 T15T11-G13 PolarHBondContact O-N 2.87Å; T11-G13 VanDerWaalsContact O-N 3.14Å; G13-T15 PolarHBondContact O-N 3.39Å
14L45.8Very low46.2Very low165 Ų165140.5 Ų140.586%0.86481%0.812SS**  trans-81.4101.8168-68.9174.4000109.1V12 A16V12-L14 PolarHBondContact O-N 3.45Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.15Å
15T45.5Very low46.5Very low140 Ų140139.7 Ų139.786%0.85981%0.807SS**  trans-72.386.8167.751.90000109.4G13 Q17G13-T15 PolarHBondContact O-N 3.39Å; T15-Q17 PolarHBondContact O-N 3.44Å
16A47.5Very low46.6Very low101 Ų101139.3 Ų139.384%0.83580%0.803SS**  trans-71.5114.7170.900000109.5L14L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.15Å
17Q48.8Very low46.7Very low173 Ų173144.2 Ų144.281%0.80881%0.809SS**  trans-92120.5179.5-159165.66.700109.5T15T15-Q17 PolarHBondContact O-N 3.44Å
18E49.6Very low47Very low177 Ų177140.1 Ų140.183%0.82781%0.805SS**  trans40.495.2162.8-60.4-173.3128.400118.5
19I48.1Very low47.2Very low153 Ų153146.5 Ų146.579%0.78581%0.811SS**  trans-114.8104.8150.5-55.6176.9000107.4L21I19-L21 PolarHBondContact O-N 3.31Å
20S48.1Very low47.9Very low119 Ų119141.6 Ų141.683%0.83281%0.806SS**  trans-70.6105.4175.142.80000110.6
21L50.6Low48Very low142 Ų142141.4 Ų141.474%0.74381%0.805SS**  trans-76.4134.6170.1-62.9176.7000109.6I19 T23I19-L21 PolarHBondContact O-N 3.31Å; L21-T23 PolarHBondContact O-N 3.17Å
22P42.8Very low48Very low126 Ų126144.5 Ų144.582%0.81880%0.803SS**  trans-72.3102.8174.828.7-32.7000110.3E24P22-E24 VanDerWaalsContact C-N 3.3Å; P22-E24 PolarHBondContact O-N 2.75Å; P22-E24 VanDerWaalsContact O-N 3.09Å
23T54.8Low47.9Very low140 Ų140143.8 Ų143.886%0.85980%0.802SS**  trans-79.474.2169.647.90000111L21L21-T23 PolarHBondContact O-N 3.17Å
24E51.4Low48.3Very low187 Ų187147.5 Ų147.587%0.87480%0.802SS**  trans-151.8154.6154.8-132.9176.2167.800112.5P22 P26P22-E24 VanDerWaalsContact C-N 3.3Å; P22-E24 PolarHBondContact O-N 2.75Å; P22-E24 VanDerWaalsContact O-N 3.09Å; E24-P26 WeakPolarHBondContact O-CD 3.48Å
25N50.9Low48.4Very low124 Ų124145 Ų14566%0.66380%0.799SS**  trans-103.5111.3-156.9-179.77.1000112.3F27N25-F27 VanDerWaalsContact OD1-CD2 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; N25-F27 PolarHBondContact OD1-N 3.27Å
26P49.5Very low48.6Very low114 Ų114146.4 Ų146.474%0.7480%0.798SS**  trans-101.438.8-176.740-34.5000113.7E24 L28E24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-L28 PolarHBondContact O-N 3.44Å
27F46.9Very low48.8Very low191 Ų191146.5 Ų146.584%0.83880%0.798SS**  trans-7659.7167.4-80-65.1000112.5N25 R29N25-F27 VanDerWaalsContact OD1-CD2 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; N25-F27 PolarHBondContact OD1-N 3.27Å; F27-R29 PolarHBondContact O-N 2.88Å
28L49.5Very low49.1Very low165 Ų165141.3 Ų141.386%0.86479%0.791SS**  trans-86.190.4166.4-75.7177.8000110.9P26 G30P26-L28 PolarHBondContact O-N 3.44Å; L28-G30 PolarHBondContact O-N 3Å
29R52Low48.9Very low251 Ų251138 Ų13895%0.94779%0.788SS**  trans-12.7114.8149.6-173-174-142.5-119.55.6114.8F27F27-R29 PolarHBondContact O-N 2.88Å
30G49.9Very low48.8Very low77 Ų77140 Ų14079%0.79479%0.791SS**  trans14661.3158.600000118.8L28L28-G30 PolarHBondContact O-N 3Å
31S41.7Very low48.7Very low105 Ų105140 Ų14073%0.73479%0.791SS**  trans-140.3129.6150.866.40000111.4C33S31-C33 PolarHBondContact O-N 3.11Å; S31-C33 VanDerWaalsContact O-N 3.15Å
32Y49.6Very low48.5Very low195 Ų195138.3 Ų138.377%0.76579%0.791SS**  trans-77.494.9-175.6173.5-109.6000109.9H34Y32-H34 AromaticContact CE1-CE1 3.21Å; Y32-H34 WeakPolarHBondContact CE1-CE1 3.38Å; Y32-H34 AromaticContact CE1-ND1 3.34Å; Y32-H34 VanDerWaalsContact CE1-ND1 3.34Å; Y32-H34 WeakPolarHBondContact CE1-ND1 3.46Å; Y32-H34 AromaticContact CE1-NE2 3.85Å; Y32-H34 AromaticContact CZ-CE1 3.52Å; Y32-H34 AromaticContact CZ-ND1 3.65Å; Y32-H34 PolarHBondContact O-N 3.23Å; Y32-H34 PolarHBondContact OH-CE1 2.9Å; Y32-H34 VanDerWaalsContact OH-CE1 3.22Å
33C43Very low48.5Very low110 Ų110137.8 Ų137.874%0.74379%0.789SS**  trans-73.6104.8174.6-65.90000110.4S31 S35S31-C33 PolarHBondContact O-N 3.11Å; S31-C33 VanDerWaalsContact O-N 3.15Å; C33-S35 PolarHBondContact O-N 2.83Å
34H48.1Very low47.5Very low142 Ų142136 Ų13666%0.65778%0.783SS**  trans-64.8119163.9-94.7-17.8000110.2Y32 M36Y32-H34 AromaticContact CE1-CE1 3.21Å; Y32-H34 WeakPolarHBondContact CE1-CE1 3.38Å; Y32-H34 AromaticContact CE1-ND1 3.34Å; Y32-H34 VanDerWaalsContact CE1-ND1 3.34Å; Y32-H34 WeakPolarHBondContact CE1-ND1 3.46Å; Y32-H34 AromaticContact CE1-NE2 3.85Å; Y32-H34 AromaticContact CZ-CE1 3.52Å; Y32-H34 AromaticContact CZ-ND1 3.65Å; Y32-H34 PolarHBondContact O-N 3.23Å; Y32-H34 PolarHBondContact OH-CE1 2.9Å; Y32-H34 VanDerWaalsContact OH-CE1 3.22Å; H34-M36 PolarHBondContact O-N 3.12Å
35S48.5Very low46.9Very low114 Ų114132.1 Ų132.180%0.79778%0.775SS**  trans-60.8105.8175.9-61.20000111.9C33 A37C33-S35 PolarHBondContact O-N 2.83Å; S35-A37 PolarHBondContact O-N 3.11Å; S35-A37 VanDerWaalsContact O-N 3.1Å
36M49.2Very low46.1Very low168 Ų168134.5 Ų134.583%0.82878%0.781SS**  trans-81.136.1166.4-72.1-115.8-6500112.6H34 G38H34-M36 PolarHBondContact O-N 3.12Å; M36-G38 PolarHBondContact O-N 3.44Å
37A52.7Low45.6Very low103 Ų103137.3 Ų137.385%0.85179%0.785SS**THydrogen-bonded Turntrans-76.665.8169.300000109.8S35S35-A37 PolarHBondContact O-N 3.11Å; S35-A37 VanDerWaalsContact O-N 3.1Å
38G53.5Low45.1Very low64 Ų64135.7 Ų135.766%0.6678%0.78SS**THydrogen-bonded Turntrans-165.8-0.2-172.600000116.4M36 K40M36-G38 PolarHBondContact O-N 3.44Å; G38-K40 PolarHBondContact O-N 2.81Å
39S45.5Very low44.8Very low108 Ų108132.5 Ų132.576%0.75577%0.769SS**  trans-74.290.117758.10000111.3
40K47.4Very low44.2Very low196 Ų196128.3 Ų128.385%0.85276%0.764SS**  trans-55.9136.4166.7-63.9178.7-179.5178.70109.6G38 S42G38-K40 PolarHBondContact O-N 2.81Å; K40-S42 PolarHBondContact O-N 3.19Å
41S45.5Very low43.9Very low119 Ų119132.4 Ų132.483%0.83276%0.762SS**  trans-70.586.1177.753.90000111.5C43S41-C43 VanDerWaalsContact C-N 3.25Å; S41-C43 PolarHBondContact O-N 3.43Å
42S46.7Very low43.8Very low105 Ų105134.1 Ų134.173%0.73476%0.763SS**  trans-80.465.8175.2-177.80000112K40 S44K40-S42 PolarHBondContact O-N 3.19Å; S42-S44 PolarHBondContact O-N 3.26Å
43C41.3Very low43.4Very low115 Ų115135.3 Ų135.378%0.77777%0.767SS**  trans-88.282.3157.4-72.80000108.4S41 C45S41-C43 VanDerWaalsContact C-N 3.25Å; S41-C43 PolarHBondContact O-N 3.43Å; C43-C45 PolarHBondContact O-N 3.01Å
44S34.9Very low43.1Very low104 Ų104138.1 Ų138.173%0.72777%0.774SS**  trans-73.175.4175.458.60000110.8S42 H46S42-S44 PolarHBondContact O-N 3.26Å; S44-H46 PolarHBondContact O-N 3.12Å; S44-H46 VanDerWaalsContact O-N 3.14Å
45C38.1Very low42.5Very low105 Ų105138.4 Ų138.471%0.70978%0.777SS**  trans-68.9103.3159.5-66.20000107.3C43 Q47C43-C45 PolarHBondContact O-N 3.01Å; C45-Q47 PolarHBondContact O-N 3.5Å
46H33.7Very low42.1Very low174 Ų174141 Ų14181%0.80678%0.779SS**  trans-67.497.3176.1-147.5-82.6000108.3S44S44-H46 PolarHBondContact O-N 3.12Å; S44-H46 VanDerWaalsContact O-N 3.14Å
47Q39.4Very low41.2Very low173 Ų173138.9 Ų138.981%0.80877%0.767SS**  trans-109.494178.7-171170.720.400107.9C45 P49C45-Q47 PolarHBondContact O-N 3.5Å; Q47-P49 WeakPolarHBondContact O-CD 3.42Å
48E36.7Very low40.5Very low156 Ų156139.5 Ų139.573%0.72977%0.765SS**  trans-71.1121166.7-69.7-175.4144.300108.8I50E48-I50 PolarHBondContact O-N 3.15Å
49P43.6Very low39.8Very low99 Ų99143.4 Ų143.464%0.64377%0.766SS**  trans-83.5112167.14.514.8000107.8Q47 H51Q47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-H51 PolarHBondContact O-N 3.29Å
50I40.3Very low39.5Very low163 Ų163146.2 Ų146.284%0.83677%0.771SS**  trans-73.276.4165.2-54.8177.8000107.8E48 N52E48-I50 PolarHBondContact O-N 3.15Å; I50-N52 PolarHBondContact O-N 2.98Å
51H41.8Very low38.8Very low163 Ų163145.7 Ų145.776%0.75577%0.771SS**  trans-85.793.4159.7-84.6-68.6000108.1P49P49-H51 PolarHBondContact O-N 3.29Å
52N39.4Very low38.5Very low140 Ų140145.8 Ų145.875%0.74977%0.772SS**  trans-165.7147.4151.2-94.9-35.5000110I50I50-N52 PolarHBondContact O-N 2.98Å
53Y41.4Very low37.9Very low220 Ų220145.5 Ų145.586%0.86377%0.77SS**SBendtrans65.383-174.3-64.2-84.5000116.5
54L37.7Very low37.5Very low169 Ų169151.4 Ų151.489%0.88578%0.778SS**  -165.452126.2-101.6169.7000111M56L54-M56 PolarHBondContact O-N 2.86Å
55M35Very low37.3Very low148 Ų148157.5 Ų157.573%0.72978%0.784SS**  trans-89.688.5157.3-101.3-73.9-71.100107E57M55-E57 HydrophobicContact CE-CB 4.22Å; M55-E57 HydrophobicContact CE-CG 4.29Å; M55-E57 WeakPolarHBondContact CE-OE2 3.39Å
56M39.4Very low37.1Very low170 Ų170157 Ų15784%0.83779%0.788SS**  trans-107.8102.8158.9-77.4-62.9-89.900106.9L54 S58L54-M56 PolarHBondContact O-N 2.86Å; M56-S58 PolarHBondContact O-N 2.83Å
57E32.2Very low37.2Very low123 Ų123156.8 Ų156.858%0.57579%0.788SS**  trans-79.7108.6-169.2-165.8166177.300109.5M55 H59M55-E57 HydrophobicContact CE-CB 4.22Å; M55-E57 HydrophobicContact CE-CG 4.29Å; M55-E57 WeakPolarHBondContact CE-OE2 3.39Å; E57-H59 VanDerWaalsContact CD-NE2 3.27Å; E57-H59 VanDerWaalsContact CG-NE2 3.34Å; E57-H59 WeakPolarHBondContact CG-NE2 3.34Å; E57-H59 PolarHBondContact O-N 3.32Å; E57-H59 IonicContact OE1-CD2 3.41Å; E57-H59 IonicContact OE1-CE1 3.53Å; E57-H59 IonicContact OE1-NE2 2.71Å; E57-H59 PolarHBondContact OE1-NE2 3.25Å
58S37Very low36.9Very low115 Ų115158 Ų15880%0.80479%0.793SS**  trans-8264-173.963.50000112.4M56 I60M56-S58 PolarHBondContact O-N 2.83Å; S58-I60 PolarHBondContact O-N 3.48Å
59H38.9Very low36.7Very low146 Ų146160.2 Ų160.268%0.67680%0.8SS**  trans-84.393.8167.4-65.9-36.1000110.1E57E57-H59 VanDerWaalsContact CD-NE2 3.27Å; E57-H59 VanDerWaalsContact CG-NE2 3.34Å; E57-H59 WeakPolarHBondContact CG-NE2 3.34Å; E57-H59 PolarHBondContact O-N 3.32Å; E57-H59 IonicContact OE1-CD2 3.41Å; E57-H59 IonicContact OE1-CE1 3.53Å; E57-H59 IonicContact OE1-NE2 2.71Å; E57-H59 PolarHBondContact OE1-NE2 3.25Å
60I39.2Very low36Very low168 Ų168159.6 Ų159.686%0.86280%0.804SS**  trans-120.886.7158.8-58.5-176.8000107.2S58S58-I60 PolarHBondContact O-N 3.48Å
61E33.4Very low36.5Very low185 Ų185157.5 Ų157.586%0.86480%0.8SS**  trans-80.4142.3170.6-171.5165.4-167.800110.6S63E61-S63 PolarHBondContact O-N 3.23Å
62S38.4Very low37.1Very low121 Ų121154.5 Ų154.585%0.84680%0.795SS**  trans-62.2116-172.8-550000113.6
63S33.8Very low36.9Very low98 Ų98156 Ų15669%0.68580%0.798SS**  trans-150.892.3163.5-168.60000113.7E61E61-S63 PolarHBondContact O-N 3.23Å
64Y32.4Very low36.2Very low240 Ų240151.1 Ų151.194%0.94180%0.796SS**  trans-128.681.5156.8-74-74000109.7A66Y64-A66 PolarHBondContact O-N 3.44Å; Y64-A66 VanDerWaalsContact O-N 3.12Å
65R31Very low36Very low231 Ų231150.7 Ų150.787%0.87279%0.789SS**  trans-75.889.4167.2-179.8-169.1-85.6-157.3-5.1109.2
66A34.8Very low35.7Very low95 Ų95152.9 Ų152.979%0.78580%0.797SS**  trans-84.6120.5161.800000109.3Y64Y64-A66 PolarHBondContact O-N 3.44Å; Y64-A66 VanDerWaalsContact O-N 3.12Å
67Q34.8Very low35.4Very low170 Ų170154 Ų15479%0.79480%0.798SS**  trans-73.3133.2173.2-62.5-173.2800110.3
68Q34Very low35.9Very low199 Ų199153.2 Ų153.293%0.9380%0.803SS**  trans-136150.1144.4-74.1-157.51.500110.9
69K32.2Very low35.8Very low202 Ų202156.3 Ų156.388%0.87880%0.802SS**  trans-124.5116.1-159.2-179.9-177.9178.7-1750108.1
70A30Very low35.5Very low86 Ų86160.1 Ų160.171%0.71181%0.812SS**  trans-75178.9167.400000110.1
71P49Very low35.2Very low118 Ų118157 Ų15777%0.76681%0.805SS**  cis-136.9-147.57.245.7-25.2000111.2
72P55Low35.8Very low100 Ų100152.7 Ų152.765%0.64979%0.793SS**  cis-137.5166.6-12.238.2-18.5000118.6
73Q34.8Very low35.5Very low173 Ų173156 Ų15681%0.80879%0.792SS**  trans44.2130.8140.7-67176.4-45.700124.6
74S27.1Very low35.5Very low116 Ų116156.3 Ų156.381%0.81179%0.794SS**  -163.1160123.3-167.40000112.9
75H33.3Very low35.7Very low160 Ų160152.5 Ų152.574%0.74179%0.785SS**  trans-78.3172.5-172.7-56.1-96.3000112.6
76E28.4Very low35.7Very low194 Ų194145.5 Ų145.591%0.90777%0.772SS**  cis-151.4177.736.6-69.4-167.6104.500115.9
77K34.1Very low35.5Very low194 Ų194149.9 Ų149.984%0.84377%0.773SS**  trans-95.3172.8165.3-90.9173.9178.9170.60109
78P43.4Very low35.4Very low106 Ų106145.6 Ų145.669%0.68877%0.767SS**  cis-154.9171.137.142-19.2000120.8
79K34.5Very low35.6Very low180 Ų180145 Ų14578%0.78376%0.764SS**  trans36.7130.7140.6-60.1170.9-177.9179.30119.5
80Y31.6Very low35.6Very low226 Ų226145.3 Ų145.389%0.88677%0.766SS**  -159.5165.477.6-101.4-82.9000114.1
81S32.8Very low36Very low102 Ų102151 Ų15171%0.71378%0.775SS**  trans-141.4-169.3176.4-150.90000106.5
82P47.5Very low35.3Very low95 Ų95151.6 Ų151.662%0.61778%0.78SS**  cis-145.6-159.42.432.4-5.2000115.7
83K30.8Very low34.6Very low191 Ų191154.7 Ų154.783%0.8379%0.79SS**  trans82.3145.7164.5-52.8175-176.3-1800114.9
84S33Very low35Very low104 Ų104151.9 Ų151.973%0.72779%0.787SS**  cis-168.4162.3-7.8-107.70000107.2
85Q36.6Very low35.2Very low160 Ų160151.2 Ų151.275%0.74878%0.783SS**  cis-156.7175.6-3.2-177.4168.4-61.100108.5
86S32.8Very low35.3Very low85 Ų85152.3 Ų152.359%0.59479%0.787SS**  trans-91.2166.9174.561.80000114.8
87F30.5Very low35.7Very low186 Ų186151.3 Ų151.382%0.81679%0.788SS**  trans151.8146.8138.9-74.6-52.5000108.1
88A32.4Very low35.6Very low81 Ų81147 Ų14767%0.66978%0.782SS**  cis-178.4143.2-20.800000105.1
89Q37Very low35.1Very low185 Ų185150 Ų15086%0.86479%0.791SS**  trans8.5131159.5-57.8176.9-17.900120.1
90K33.3Very low34.8Very low210 Ų210146.4 Ų146.491%0.91379%0.789SS**  -159153.8129.2-106.1145.9-169.7178.60113.2
91K38.3Very low34.8Very low205 Ų205144.3 Ų144.389%0.89179%0.787SS**  trans-92.2140.1-176.3-53.4164.5-175.61760108.3
92C33Very low34.6Very low130 Ų130143.3 Ų143.388%0.87879%0.785SS**  trans-12094.9176.4-71.10000111.8
93L41.1Very low33.9Very low166 Ų166148.2 Ų148.287%0.86980%0.802SS**  trans-151.9107.6159.8-121.5167.9000105.5
94P42.5Very low34Very low114 Ų114147.4 Ų147.474%0.7480%0.801SS**  -148.5176.1127.838.8-22.6000111
95S32.2Very low34.7Very low102 Ų102147.1 Ų147.171%0.71380%0.796SS**  cis-163.3162.2-18.641.60000108.3
96H35.2Very low34.4Very low182 Ų182145.6 Ų145.684%0.84380%0.803SS**  trans-48.8142.7173-59.5-100.2000114
97L36.5Very low34.5Very low174 Ų174147 Ų14791%0.91181%0.813SS**  trans-94.4144163.7-67.9172.2000109.6
98S31.5Very low35.3Very low104 Ų104143.7 Ų143.773%0.72781%0.81SS**  trans-138.8127.9177.3-72.70000113
99L33.7Very low35.4Very low167 Ų167145 Ų14587%0.87482%0.815SS**  trans63.9125.4140.6-63.8169.3000122.7
100S29.1Very low36.2Very low105 Ų105141.7 Ų141.773%0.73481%0.809SS**  166.3155.7125.7490000107.8
101H30.5Very low36.2Very low182 Ų182136.3 Ų136.384%0.84380%0.804SS**  cis-133.3-176.45.9-89.9-100.5000108.7
102A28.8Very low36.1Very low82 Ų82133.6 Ų133.668%0.67880%0.799SS**  cis177.1135.2-45.400000108.6
103M34Very low36.2Very low198 Ų198133.7 Ų133.798%0.97579%0.791SS**  trans-153123.3159.4-120.5175.7106.200111.2
104E32.2Very low36.1Very low174 Ų174132.9 Ų132.981%0.81379%0.785SS**  trans-107.4-177.8169.1-119.6-160.8111.600108
105P46.6Very low35.9Very low97 Ų97133.8 Ų133.863%0.6378%0.779SS**  cis-132.3171-8.536.3-19.4000114.6
106S30.3Very low36.1Very low128 Ų128138.4 Ų138.490%0.89578%0.781SS**  trans-172.9119.1142.2-81.90000112
107S35.8Very low36.3Very low114 Ų114137 Ų13780%0.79778%0.779SS**  trans-131.9163162.475.20000107.1
108P48.1Very low36.6Very low117 Ų117134.5 Ų134.576%0.7678%0.776SS**  -139.2141.35728.6-5.6000115.4
109S34.6Very low36.7Very low110 Ų110135.6 Ų135.677%0.76978%0.778SS**  87.917492.5-140.70000113.9
110P52Low36.7Very low114 Ų114133.6 Ų133.674%0.7477%0.768SS**  -134.2175-95.643-26.7000115.7
111A34.8Very low37Very low98 Ų98135.3 Ų135.381%0.8177%0.765SS**  trans149.4160156.200000110.2
112D35.6Very low37.1Very low147 Ų147132.7 Ų132.779%0.78676%0.757SS**  cis-160.7176.7-43.5-149.2-25.5000106.8
113D35.1Very low37.7Very low133 Ų133134.3 Ų134.371%0.71176%0.764SS**  trans52.6104.3161.1-86.8-34.9000121.7
114M38.9Very low38.4Very low148 Ų148130.2 Ų130.273%0.72975%0.752SS**  35.9136.1103.1-69.6-75.4-84.600121.7
115Q38.3Very low39.1Very low133 Ų133127.9 Ų127.962%0.62175%0.751SS**  trans90.1115.9147.2-75.2-17762.400122.2
116R36.9Very low39Very low199 Ų199131.5 Ų131.575%0.75177%0.765SS**  80.9127.6123.8-81.7-179.6155.3164.9-15.4122.2
117L40.1Very low39.5Very low152 Ų152131.1 Ų131.180%0.79676%0.757SS**  trans67.6110.2138.5-59.8167.5000119
118S42Very low39.9Very low123 Ų123131.5 Ų131.586%0.8676%0.757SS**  -157.9166.2122.166.10000111
119V34.4Very low39.5Very low127 Ų127132.1 Ų132.177%0.7776%0.758SS**  trans-114.9153.1-162.6-169.60000110.6
120N32.8Very low39.9Very low125 Ų125138 Ų13867%0.66876%0.763SS**  trans103.4123.5141.5-12437000121.6
121E34.6Very low39.6Very low141 Ų141139.1 Ų139.166%0.65977%0.768SS**  trans71.8115.3139.1-79.8-167.6113.800124.3
122N34.2Very low40.5Very low126 Ų126139.6 Ų139.667%0.67477%0.765SS**  84.385.8128.2-59.2-9.1000119.3
123S40.9Very low41.9Very low117 Ų117141.9 Ų141.982%0.81877%0.768SS**  trans-144.5144.1143.9-77.60000110.2
124P47.5Very low43.2Very low112 Ų112141.2 Ų141.273%0.72777%0.771SS**PPolyproline II helixtrans-71.5156.5-172.729.3-35.6000112.7L126P124-L126 PolarHBondContact O-N 3.38Å
125P46.7Very low44.5Very low124 Ų124141.8 Ų141.881%0.80578%0.776SS**PPolyproline II helixtrans-66.1121.3-175.426.1-34.2000112.1T127P125-T127 PolarHBondContact O-N 3.35Å
126L44.5Very low45.6Very low174 Ų174140.7 Ų140.791%0.91178%0.781SS**PPolyproline II helixtrans-59.3126.5169.3-76.8157.9000109.9P124P124-L126 PolarHBondContact O-N 3.38Å
127T41.8Very low47.2Very low119 Ų119137 Ų13773%0.7378%0.783SS**PPolyproline II helixtrans-71.8151.2175.249.40000110.7P125 V129P125-T127 PolarHBondContact O-N 3.35Å; T127-V129 PolarHBondContact O-N 2.97Å; T127-V129 VanDerWaalsContact O-N 3.15Å
128P44.4Very low48.1Very low122 Ų122137 Ų13779%0.79278%0.782SS**PPolyproline II helixtrans-60.4121.2-179.4-23.233.7000111.2R130P128-R130 PolarHBondContact O-N 2.93Å
129V40Very low49.1Very low130 Ų130135.9 Ų135.979%0.78877%0.772SS**  trans-57.6109.9174.5176.10000108.3T127 V131T127-V129 PolarHBondContact O-N 2.97Å; T127-V129 VanDerWaalsContact O-N 3.15Å; V129-V131 PolarHBondContact O-N 3.04Å
130R43.5Very low49.8Very low234 Ų234135.7 Ų135.788%0.88377%0.773SS**  trans-65.4105.9173-67.9-179.1-175.7159.51.6107.6P128 S132P128-R130 PolarHBondContact O-N 2.93Å; R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.35Å
131V45.2Very low50.4Low138 Ų138137.6 Ų137.684%0.83678%0.778SS**  trans-64.896.1175.1-170.70000108.1V129 K133V129-V131 PolarHBondContact O-N 3.04Å; V131-K133 PolarHBondContact O-N 2.82Å; V131-K133 VanDerWaalsContact O-N 3.11Å
132S52.1Low50.9Low108 Ų108136.4 Ų136.476%0.75578%0.781SS**  trans-66.711017548.90000108.7R130R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.35Å
133K65Low51.3Low194 Ų194138 Ų13884%0.84379%0.789SS**PPolyproline II helixtrans-56.9129174.8-138.3140.4-178.7171.50108.6V131V131-K133 PolarHBondContact O-N 2.82Å; V131-K133 VanDerWaalsContact O-N 3.11Å
134P63.3Low51.7Low120 Ų120139.3 Ų139.378%0.77979%0.786SS**PPolyproline II helixtrans-63144178.126.3-33.4000110
135L65.8Low51.4Low160 Ų160139.4 Ų139.484%0.83879%0.789SS**PPolyproline II helixtrans-63.2149.8174.3-68.3171.2000110.2
136P62.9Low51.4Low109 Ų109140.5 Ų140.571%0.70879%0.793SS**PPolyproline II helixtrans-61.7145.4172.127.7-34.5000110.4
137P69.2Low51.8Low123 Ų123140.2 Ų140.280%0.79979%0.787SS**PPolyproline II helixtrans-64.5140.8178.327.4-34.3000111
138I59.5Low52.2Low150 Ų150142.9 Ų142.977%0.76979%0.792SS**PPolyproline II helixtrans-72133.7173.5-56.3175.1000107.8
139P62.4Low52.8Low101 Ų101142.3 Ų142.366%0.65680%0.797SS**PPolyproline II helixtrans-62.4146.2175.725.8-34.1000111.1
140P50.2Low53.2Low123 Ų123141.3 Ų141.380%0.79979%0.791SS**PPolyproline II helixtrans-63.1139.4179.827-34.1000110.8T142P140-T142 PolarHBondContact O-N 3.25Å
141Q45.5Very low53.6Low164 Ų164137.3 Ų137.377%0.76679%0.787SS**PPolyproline II helixtrans-67.6126.6169.8-65.9-69.7-32.100108.5D143Q141-D143 PolarHBondContact O-N 3.44Å
142T44Very low53.9Low117 Ų117139 Ų13972%0.71879%0.786SS**  trans-80.2106.7167.7-50.10000107.7P140 I144P140-T142 PolarHBondContact O-N 3.25Å; T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 HydrophobicContact CG2-CG2 4.05Å; T142-I144 PolarHBondContact O-N 3.03Å
143D43.3Very low54Low159 Ų159141.4 Ų141.485%0.8579%0.785SS**  trans-66.288.1171.2-67.8-44000109.9Q141Q141-D143 PolarHBondContact O-N 3.44Å
144I48.2Very low53.5Low145 Ų145137.3 Ų137.374%0.74478%0.776SS**  trans-94119.2164.951.8172.1000109.5T142 T146T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 HydrophobicContact CG2-CG2 4.05Å; T142-I144 PolarHBondContact O-N 3.03Å; I144-T146 PolarHBondContact O-N 3.41Å
145S41.3Very low52.8Low113 Ų113139.9 Ų139.979%0.7978%0.777SS**  trans-61.6121.2-173.1-167.60000112.5E147S145-E147 PolarHBondContact O-N 3.36Å
146T48.2Very low51.6Low148 Ų148136.6 Ų136.691%0.90877%0.768SS**  trans-78.667175.2-46.70000111.3I144I144-T146 PolarHBondContact O-N 3.41Å
147E51.9Low50.5Low167 Ų167140 Ų14078%0.7877%0.772SS**  trans-152.478.2170.1-162.3177.4-178.800112.9S145S145-E147 PolarHBondContact O-N 3.36Å
148Q50.2Low49Very low176 Ų176141 Ų14182%0.82278%0.776SS**  trans-163.791.8142.5-114177-10.800110.4V150Q148-V150 HydrophobicContact CG-CG2 4.11Å; Q148-V150 PolarHBondContact O-N 3.02Å
149A56.7Low48.2Very low110 Ų110141.2 Ų141.291%0.90978%0.779SS**  trans-81.5103.4156.500000107.2
150V48.3Very low47.4Very low109 Ų109142.4 Ų142.466%0.66178%0.784SS**  trans-128.5129168177.80000106.4Q148 H152Q148-V150 HydrophobicContact CG-CG2 4.11Å; Q148-V150 PolarHBondContact O-N 3.02Å; V150-H152 PolarHBondContact O-N 2.95Å; V150-H152 VanDerWaalsContact O-N 3.15Å
151D51.4Low47Very low150 Ų150144 Ų14480%0.80279%0.786SS**  trans-54119.4175.3-74.7-52.1000110.3
152H53.4Low47Very low173 Ų173144.6 Ų144.680%0.80179%0.789SS**  trans-128.168.7160.5-145.3-49000108.5V150V150-H152 PolarHBondContact O-N 2.95Å; V150-H152 VanDerWaalsContact O-N 3.15Å
153E54.1Low47Very low158 Ų158143.9 Ų143.974%0.73879%0.788SS**  trans-57.8173.9149.4-51.3-160.9135.700109.2
154V52.8Low46.7Very low108 Ų108141 Ų14166%0.65578%0.78SS**  trans87.895.7176.1-167.10000116.1
155E48.6Very low46.1Very low174 Ų174144.8 Ų144.881%0.81379%0.785SS**  trans86.3150.2133.9-69.2167.4179.400124.1
156S42.1Very low45.9Very low92 Ų92147 Ų14764%0.64379%0.787SS**  trans78.4132.4167.878.70000117.2
157F39.5Very low45.2Very low181 Ų181145.7 Ų145.779%0.79478%0.779SS**  cis-136.7120.58.7-65.4-94.7000112.2N159F157-N159 PolarHBondContact O-N 3.41Å
158T36.9Very low44.6Very low144 Ų144143.3 Ų143.388%0.88378%0.78SS**  trans-78.3105153.546.80000108T160T158-T160 PolarHBondContact O-N 3.21Å
159N42.2Very low44Very low154 Ų154141.8 Ų141.882%0.82478%0.778SS**  trans-64130.2175.2-93.6-47.7000110.8F157 D161F157-N159 PolarHBondContact O-N 3.41Å; N159-D161 PolarHBondContact O-N 3.35Å
160T45.7Very low43.1Very low125 Ų125144.2 Ų144.277%0.76778%0.776SS**  trans-64.6123.6172.6-50.90000110.6T158 E162T158-T160 PolarHBondContact O-N 3.21Å; T160-E162 HydrophobicContact CG2-CB 4.38Å
161D42.3Very low42.8Very low158 Ų158145.3 Ų145.385%0.84578%0.778SS**  trans-136.299.9146.3-170.726000108.4N159N159-D161 PolarHBondContact O-N 3.35Å
162E45.7Very low42.1Very low176 Ų176145.4 Ų145.482%0.82277%0.773SS**  trans-10497.9-178.5-175.2-175.3174.100108.7T160T160-E162 HydrophobicContact CG2-CB 4.38Å
163S43.7Very low41.3Very low101 Ų101147.6 Ų147.671%0.70678%0.776SS**  trans-153.7140.5161.7-1380000115.3
164C38.1Very low40.4Very low100 Ų100145.8 Ų145.868%0.67678%0.781SS**  trans82.274.4160.4-62.40000120
165R36.1Very low39.9Very low223 Ų223151.1 Ų151.184%0.84280%0.795SS**  85.4114.4115.3-74.9166.8-176.6-175.31.4120.8
166L37.1Very low39.2Very low159 Ų159148.5 Ų148.583%0.83280%0.796SS**  trans67.191.8131.5-56.8176.3000118.1
167V33.1Very low39.1Very low122 Ų122149.5 Ų149.574%0.73980%0.803SS**  trans-90.6112.9150.6178.50000108.3N169V167-N169 PolarHBondContact O-N 2.94Å
168S38Very low39.6Very low116 Ų116146 Ų14681%0.81180%0.798SS**  trans-82.7103.2158.9-63.50000108.2
169N38.8Very low39.6Very low145 Ų145147.9 Ų147.978%0.77580%0.795SS**  trans-83.2125.3155.6-68.3-64.1000106.9V167V167-N169 PolarHBondContact O-N 2.94Å
170D37.8Very low39.5Very low160 Ų160152.2 Ų152.286%0.85680%0.799SS**  trans-146.3160.1151.3-144.4-22.6000109.1
171D41.3Very low39.2Very low133 Ų133157.1 Ų157.171%0.71181%0.805SS**  trans-104-179-136.9-127.7-36000114.8
172Q37.6Very low39Very low151 Ų151153 Ų15371%0.70680%0.801SS**  trans92.6113.3149.1-74.6148.951.900122.7
173Y35.7Very low39.1Very low220 Ų220153.1 Ų153.186%0.86381%0.806SS**  trans57.2108.7132.1-77.4-116.1000119.8
174S36.5Very low38.9Very low119 Ų119153.6 Ų153.683%0.83281%0.81SS**  -166.7127.7110.7-84.80000112.6
175K41.2Very low38.8Very low221 Ų221157.3 Ų157.396%0.96182%0.817SS**  trans-90.1122165-76.3177.5177.7172.90109.3
176S34.7Very low39.3Very low118 Ų118158.2 Ų158.283%0.82582%0.82SS**  trans-146.6125.7154.254.60000112.1
177S38.8Very low39.9Very low114 Ų114161.3 Ų161.380%0.79782%0.821SS**  trans-98.7167.6162.8-164.50000106.9
178P49.9Very low40.4Very low106 Ų106159.7 Ų159.769%0.68881%0.814SS**  cis-135.7179.54.242.2-24.7000115.6
179F36.8Very low41Very low185 Ų185162.2 Ų162.281%0.81182%0.818SS**  trans53.298.3146.8-117.7-90.5000121.3
180R41.4Very low41.6Very low244 Ų244165.8 Ų165.892%0.92182%0.821SS**  trans-144.6126.7144.4-67.9-63.6-99-151.1-8.4111.8
181Y38.8Very low42Very low228 Ų228165.9 Ų165.989%0.89482%0.821SS**  trans-70.7135.9160.7-111.3-113.2000108.9
182G39.2Very low42.9Very low73 Ų73166.3 Ų166.375%0.75383%0.828SS**  trans17794.7-179.700000115.7
183L47.3Very low44Very low177 Ų177161.8 Ų161.893%0.92782%0.822SS**  trans-39.7126.7174.4-61.4160.8000116
184S40Very low45.6Very low112 Ų112160.9 Ų160.978%0.78383%0.826SS**  trans-175.877.3139.8370000111.1R186S184-R186 PolarHBondContact O-N 3.46Å; S184-R186 VanDerWaalsContact O-N 3.11Å
185H36Very low47.3Very low177 Ų177160 Ų16082%0.81981%0.811SS**  trans-68.8110.3178.4-164.681.4000110.2R187H185-R187 PolarHBondContact O-N 3.01Å
186R46.4Very low48.6Very low242 Ų242155 Ų15591%0.91380%0.795SS**  trans-59.699.3179.4-71.8-172.5-179.6-92.13.9110.9S184S184-R186 PolarHBondContact O-N 3.46Å; S184-R186 VanDerWaalsContact O-N 3.11Å
187R49.5Very low50.1Low225 Ų225157.9 Ų157.985%0.84979%0.789SS**  trans-82.6116.7160.6-74-175.1177160.21.2108.4H185 L189H185-R187 PolarHBondContact O-N 3.01Å; R187-L189 PolarHBondContact O-N 3.25Å
188S43.3Very low51.5Low87 Ų87156.3 Ų156.361%0.60878%0.782SS**  trans-36.4131.8167.4150.50000111.5R190S188-R190 PolarHBondContact O-N 3.14Å
189L50.9Low51.9Low170 Ų170161.4 Ų161.489%0.8979%0.789SS**  trans-55.8111.2157.7-93.478.2000106.6R187R187-L189 PolarHBondContact O-N 3.25Å
190R51.2Low53.3Low220 Ų220159.7 Ų159.783%0.8378%0.779SS**  trans-103.9130.8156.5-70.7-171.1-170.6-126.30.2106.9S188 V192S188-R190 PolarHBondContact O-N 3.14Å; R190-V192 PolarHBondContact O-N 2.94Å
191N46.3Very low54.5Low161 Ų161156.1 Ų156.186%0.86178%0.778SS**  trans-34.6124.5175.2-53.7-23.9000111.3G193N191-G193 PolarHBondContact O-N 2.78Å; N191-G193 VanDerWaalsContact O-N 3.1Å
192V60Low55.9Low142 Ų142146.5 Ų146.586%0.86175%0.748SS**  trans-61.8112.9168.4177.60000106.4R190R190-V192 PolarHBondContact O-N 2.94Å
193G59.3Low56.7Low56 Ų56149.1 Ų149.158%0.57775%0.752SS**PPolyproline II helixtrans-66.6135.8173.100000109.7N191 I195N191-G193 PolarHBondContact O-N 2.78Å; N191-G193 VanDerWaalsContact O-N 3.1Å; G193-I195 PolarHBondContact O-N 3.27Å
194E69.8Low56.9Low202 Ų202149.4 Ų149.494%0.94475%0.753SS**PPolyproline II helixtrans-60.3125.5173.6-68.8-176.5138.600110
195I73.3Confident56.9Low101 Ų101147 Ų14752%0.51875%0.746SS.*PPolyproline II helixtrans-84.8125.9176.716173.8000109G193 Y197G193-I195 PolarHBondContact O-N 3.27Å; I195-Y197 VanDerWaalsContact O-CD2 3.3Å; I195-Y197 WeakPolarHBondContact O-CD2 3.49Å; I195-Y197 WeakPolarHBondContact O-CE2 3.42Å; I195-Y197 PolarHBondContact O-N 3.1Å; I195-Y197 VanDerWaalsContact O-N 3.11Å
196N68.4Low57.2Low116 Ų116144.7 Ų144.762%0.6275%0.747SS**  trans-75.6102.3176.9-172.3-16.3000110.3A198 Y199N196-A198 PolarHBondContact O-N 2.71Å; N196-A198 VanDerWaalsContact O-N 3.09Å; N196-A198 WeakPolarHBondContact OD1-CB 3.36Å; N196-A198 PolarHBondContact OD1-N 2.91Å; N196-A198 VanDerWaalsContact OD1-N 3.17Å; N196-Y199 PolarHBondContact O-N 3.36Å
197Y66.5Low56.8Low178 Ų178140.8 Ų140.870%0.69874%0.739SS**G310 helixtrans-61-16.6-177.1-67.2-81.2000114.7I195 Y199 Y200I195-Y197 VanDerWaalsContact O-CD2 3.3Å; I195-Y197 WeakPolarHBondContact O-CD2 3.49Å; I195-Y197 WeakPolarHBondContact O-CE2 3.42Å; I195-Y197 PolarHBondContact O-N 3.1Å; I195-Y197 VanDerWaalsContact O-N 3.11Å; Y197-Y199 PolarHBondContact O-N 3.11Å; Y197-Y199 VanDerWaalsContact O-N 3.14Å; Y197-Y200 PolarHBondContact O-N 3.34Å
198A68.1Low56Low80 Ų80136.4 Ų136.466%0.66174%0.737SS**G310 helixtrans-65-13.4175.600000114N196N196-A198 PolarHBondContact O-N 2.71Å; N196-A198 VanDerWaalsContact O-N 3.09Å; N196-A198 WeakPolarHBondContact OD1-CB 3.36Å; N196-A198 PolarHBondContact OD1-N 2.91Å; N196-A198 VanDerWaalsContact OD1-N 3.17Å
199Y56.8Low55.8Low213 Ų213139 Ų13984%0.83574%0.739SS**G310 helixtrans-127.611.3-178.3-78.4-85.3000114.1N196 Y197N196-Y199 PolarHBondContact O-N 3.36Å; Y197-Y199 PolarHBondContact O-N 3.11Å; Y197-Y199 VanDerWaalsContact O-N 3.14Å
200Y67.8Low54.9Low150 Ų150139.9 Ų139.959%0.58874%0.739SS**  trans-94.9100.1-178.4-171.8-98.9000112.2Y197Y197-Y200 PolarHBondContact O-N 3.34Å
201D65.6Low54Low168 Ų168137.5 Ų137.590%0.89874%0.737SS**  trans-102.778.5174.4-160.513.6000109.6
202G68.2Low53.2Low26 Ų26135.5 Ų135.527%0.26874%0.736SS.*  trans-97.3156.9-17400000114L204G202-L204 PolarHBondContact O-N 3.28Å
203P55.6Low51.8Low128 Ų128136.1 Ų136.183%0.83173%0.729SS**  trans-64.3130.6-174.3-19.932.2000113.1G205P203-G205 PolarHBondContact O-N 3.48Å
204L52Low50.7Low184 Ų184139.3 Ų139.396%0.96374%0.74SS**  trans-65.994.9173.2-71.3166.9000111G202G202-L204 PolarHBondContact O-N 3.28Å
205G40.8Very low49.1Very low61 Ų61137.4 Ų137.463%0.62973%0.731SS**  trans-86.2150.1167.100000111.9P203 H207P203-G205 PolarHBondContact O-N 3.48Å; G205-H207 PolarHBondContact O-N 3.27Å
206P42Very low47.4Very low129 Ų129138.5 Ų138.584%0.83874%0.744SS**  trans-68.7130.8-17426.4-33.6000113.2T208P206-T208 PolarHBondContact O-N 3.23Å
207H36.9Very low45.7Very low160 Ų160140.6 Ų140.674%0.74176%0.755SS**  trans-41.3116.2173.4-170.2-97.9000115.3G205 Q209G205-H207 PolarHBondContact O-N 3.27Å; H207-Q209 WeakPolarHBondContact CE1-CG 3.47Å
208T33.5Very low44.2Very low133 Ų133139 Ų13982%0.81675%0.753SS**  trans-117.3113.8159-54.90000108.3P206P206-T208 PolarHBondContact O-N 3.23Å
209Q39Very low42.6Very low140 Ų140142 Ų14265%0.65475%0.754SS**  trans-70.5133.7175-58.6-176.343.500109.9H207H207-Q209 WeakPolarHBondContact CE1-CG 3.47Å
210Q30.9Very low41.3Very low190 Ų190136.9 Ų136.989%0.88874%0.74SS**  trans-139.9137.6141.6-78-146-5.200110.9
211H33.2Very low39.6Very low170 Ų170137 Ų13779%0.78775%0.746SS**  trans-70.6136.1-179.9-97.3-116.7000112.1
212S30.3Very low38.3Very low119 Ų119138.2 Ų138.283%0.83275%0.746SS**  trans-153.3113141.145.50000110.2
213Q30.6Very low36.6Very low155 Ų155141.3 Ų141.372%0.72477%0.769SS**  trans-80.1155.7168.3-86.6-167.8-30.700110.5
214P34.9Very low35.5Very low123 Ų123145.9 Ų145.980%0.79977%0.771SS**  -124.2142.8125.132.7-24.9000112.1
215Q36Very low35Very low161 Ų161145.2 Ų145.275%0.75276%0.763SS**  trans-82.8153.1173.1-67-170.1-3.500112.1
216P38.2Very low34.7Very low124 Ų124151.3 Ų151.381%0.80578%0.775SS**  trans-114.5154.8145-2.223.3000113.1
217L32.2Very low34.6Very low160 Ų160153.8 Ų153.884%0.83878%0.775SS**  trans-78.7140-176.1-96104.8000115.1
218H35.4Very low34.7Very low145 Ų145153.8 Ų153.867%0.67178%0.776SS**  trans52.9117.3139.4-100.3-131000123.3
219H34Very low34.9Very low144 Ų144152.4 Ų152.467%0.66778%0.778SS**  trans72.9142.7131-7442.3000119
220N31.1Very low35Very low104 Ų104157 Ų15756%0.55679%0.789SS**  cis-158.7166-6-139.6-22.2000112.6
221H31.1Very low35.6Very low152 Ų152156.2 Ų156.270%0.70479%0.785SS**  trans44.8112.8160.6-55.3-51.7000121.9
222H38.3Very low35.8Very low194 Ų194156.9 Ų156.990%0.89879%0.789SS**  -177.5111.4108.7-105.6-80.8000110.5
223A33Very low36Very low92 Ų92160.7 Ų160.776%0.7679%0.793SS**  trans-142.265-178.500000112.2
224Y32Very low36.3Very low223 Ų223162.4 Ų162.488%0.87580%0.801SS**  trans-150.288.4171.3-84.5-75.9000110.9
225H40.9Very low36.3Very low170 Ų170165.6 Ų165.679%0.78781%0.806SS**  trans177.289.5152-106.4-58.3000109.8
226Q35.5Very low36Very low189 Ų189167.5 Ų167.588%0.88382%0.815SS**SBendtrans-169.138.6165.6-97.2-103.241.700112.1
227Q39.3Very low35.6Very low181 Ų181171.1 Ų171.185%0.84681%0.812SS**SBendtrans-126-6.8178-89.3-172.2-33.500116.4
228E38.3Very low35.6Very low161 Ų161172.8 Ų172.875%0.75282%0.816SS**SBendtrans-97.3-10.9-174.8-71.6179.7130.800115.4R230E228-R230 PolarHBondContact O-N 3.42Å; E228-R230 VanDerWaalsContact O-N 3.14Å
229A39Very low35.4Very low104 Ų104172.6 Ų172.686%0.8682%0.815SS**THydrogen-bonded Turntrans-80.313.3-179.200000114.9
230R40.4Very low36Very low237 Ų237170.5 Ų170.589%0.89481%0.814SS**THydrogen-bonded Turntrans-115.47.3-171.6-117.9-176.4-178.6-169.2-0.4116E228E228-R230 PolarHBondContact O-N 3.42Å; E228-R230 VanDerWaalsContact O-N 3.14Å
231Q43Very low36.4Very low172 Ų172171.1 Ų171.180%0.80482%0.824SS**SBendtrans-126.724.2-173.4-63.2-168.347.800115.1
232Q37.9Very low36.4Very low184 Ų184171.3 Ų171.386%0.8683%0.825SS**SBendtrans-135.259.9175.8-70.1-161.8-9.200114.2
233H35.1Very low36Very low199 Ų199170 Ų17092%0.92182%0.819SS**  trans-157.147151.4-124.578.2000114
234E36.4Very low35.9Very low191 Ų191170 Ų17089%0.89382%0.819SS**  trans-121.261.6172.5-161.3177.5174.700110.7
235Q34.3Very low35.7Very low191 Ų191164.2 Ų164.289%0.89382%0.818SS**  trans-159.464.1172.9-133.9169.888.700115.3
236Q31Very low35.2Very low201 Ų201161.5 Ų161.594%0.93982%0.816SS**  trans-155.2109.9141.1-124.7175.51100111.9
237R28.4Very low35.7Very low200 Ų200158.2 Ų158.276%0.75581%0.812SS**  trans-118.6118.3171.4-173.2-175-164.5-101.5-9.1107.5E239R237-E239 IonicContact CZ-OE1 2.86Å; R237-E239 IonicContact NH1-OE1 3.5Å; R237-E239 PolarHBondContact NH1-OE1 3.18Å; R237-E239 IonicContact NH2-OE1 2.73Å; R237-E239 PolarHBondContact NH2-OE1 3.42Å
238Q32.7Very low35.7Very low195 Ų195160.1 Ų160.191%0.91181%0.811SS**  trans-132.7152.7155.7-72.8-161.7-5.400108.7
239E31.5Very low35.9Very low140 Ų140158.6 Ų158.665%0.65482%0.815SS**  trans-105.2174.2-153.5-104.1-146.2158.300115.3R237R237-E239 IonicContact CZ-OE1 2.86Å; R237-E239 IonicContact NH1-OE1 3.5Å; R237-E239 PolarHBondContact NH1-OE1 3.18Å; R237-E239 IonicContact NH2-OE1 2.73Å; R237-E239 PolarHBondContact NH2-OE1 3.42Å
240P45.8Very low36.1Very low100 Ų100162 Ų16265%0.64981%0.813SS**  trans-96.3-168.8-158.441.5-39.2000114.3
241P41.1Very low35.9Very low118 Ų118158.3 Ų158.377%0.76681%0.811SS**  -141.4157.692.535.5-19.2000117.8
242E29.8Very low35.9Very low156 Ų156159.1 Ų159.173%0.72981%0.812SS**  trans1.2138.6159.2-42.7-168.7111.500120.4
243H31.6Very low35.8Very low165 Ų165154.9 Ų154.976%0.76481%0.808SS**  -172.7165.660.9-100.9-65.3000114.1
244A30.3Very low36.4Very low92 Ų92153.4 Ų153.476%0.7680%0.802SS**  trans83.9110.6149.800000122.3
245A27.9Very low36.9Very low103 Ų103155.5 Ų155.585%0.85180%0.802SS**  trans67.2106.513600000121.4
246C29.5Very low37.8Very low112 Ų112154.7 Ų154.776%0.75780%0.795SS**  trans-78.6155.2155.2-156.60000110.2
247P46.6Very low38.3Very low121 Ų121153.2 Ų153.279%0.78679%0.793SS**  -143162.999.737.3-23.2000115.9
248R40Very low39.4Very low221 Ų221153.9 Ų153.983%0.83480%0.795SS**  trans-66163.1172.4-63.5174.4175154.4-2112.3
249P41.8Very low39.8Very low128 Ų128154.4 Ų154.483%0.83179%0.789SS**  -132.3131.1127.729.7-15.7000113.7
250Q43.9Very low40.2Very low176 Ų176158.4 Ų158.482%0.82280%0.798SS**  trans-87.8134.2149.4-66.4179.3-32.800107.1
251D35Very low40.2Very low160 Ų160160.9 Ų160.986%0.85680%0.801SS**  trans-160.3157.1132.3-139.1-23.3000113.9
252K42.9Very low40.6Very low188 Ų188160.1 Ų160.182%0.81780%0.798SS**  trans-102.592.5-169.2-61.1167.9-175.5172.20110.2Q254K252-Q254 PolarHBondContact O-N 3.25Å
253A37.3Very low41.8Very low95 Ų95156 Ų15679%0.78580%0.797SS**  trans-71.390.5-177.700000113.5R255A253-R255 PolarHBondContact O-N 3.12Å
254Q46.4Very low42.6Very low168 Ų168154.8 Ų154.879%0.78580%0.804SS**  trans-64.4102.3167.5-71.3-166.9-6.800111.2K252 K256K252-Q254 PolarHBondContact O-N 3.25Å; Q254-K256 PolarHBondContact O-N 2.88Å
255R47.2Very low43.2Very low236 Ų236155.1 Ų155.189%0.89181%0.807SS**  trans-82.679.8-176.8-158.7179.3-65.4163.3-0.4111.9A253 L257A253-R255 PolarHBondContact O-N 3.12Å; R255-L257 PolarHBondContact O-N 3.17Å
256K53.9Low44Very low174 Ų174154.2 Ų154.276%0.75781%0.807SS**  trans-65.8116.2171.6-76.7-179.2178.2173.80110.7Q254 R258Q254-K256 PolarHBondContact O-N 2.88Å; K256-R258 PolarHBondContact O-N 2.92Å
257L41.9Very low44.8Very low170 Ų170154.6 Ų154.689%0.8981%0.812SS**  trans-66.797.9-179.9-175.666.8000111.4R255 R259R255-L257 PolarHBondContact O-N 3.17Å; L257-R259 PolarHBondContact O-N 3.44Å
258R51Low44.8Very low214 Ų214156.4 Ų156.481%0.80881%0.814SS**  trans-74.1115.9166.8-72.9-71.4-169.6-169.92109K256 W260K256-R258 PolarHBondContact O-N 2.92Å; R258-W260 PolarHBondContact O-N 3.5Å
259R40.6Very low44.7Very low205 Ų205154.9 Ų154.977%0.77482%0.816SS**  trans-69.5110.4173.5-178.4-175.8-66.8-131.2-1.8109.6L257 H261L257-R259 PolarHBondContact O-N 3.44Å; R259-H261 WeakPolarHBondContact CD-NE2 3.3Å
260W38.9Very low45.2Very low224 Ų224157.7 Ų157.785%0.84882%0.815SS**  trans-83.5117.9171.9-74.579.8000110R258R258-W260 PolarHBondContact O-N 3.5Å
261H47.7Very low45.2Very low153 Ų153154.9 Ų154.971%0.70881%0.812SS**  trans-102.9111.1165.2-75.6-77.9000108.3R259R259-H261 WeakPolarHBondContact CD-NE2 3.3Å
262S48.8Very low45.7Very low101 Ų101153.3 Ų153.371%0.70681%0.811SS**  trans-146.491.7173.6-55.40000108.8
263G54.3Low45.8Very low69 Ų69149.5 Ų149.571%0.71181%0.808SS**  trans-81.4155168.500000110.8A265G263-A265 PolarHBondContact O-N 3.21Å
264P48.1Very low46.1Very low140 Ų140153.1 Ų153.191%0.90981%0.813SS**  trans-74.9106.9-178.529.8-33.2000111
265A43.7Very low46.2Very low100 Ų100156.5 Ų156.583%0.82682%0.818SS**  trans-82.5125.116600000109.5G263G263-A265 PolarHBondContact O-N 3.21Å
266G45.4Very low45.9Very low83 Ų83153.2 Ų153.286%0.85682%0.818SS**  trans-71.2146.6176.600000112.3
267S45.8Very low45.3Very low121 Ų121151.3 Ų151.385%0.84682%0.824SS**  trans-143.3117.6165.9-1730000109.3
268L46.8Very low45.5Very low158 Ų158149.1 Ų149.183%0.82782%0.82SS**  trans-85.1132.5-175.9-163.777.7000109.7K270L268-K270 PolarHBondContact O-N 3.09Å
269H37.3Very low45Very low189 Ų189148.3 Ų148.388%0.87582%0.823SS**  trans-56.5128.9179.7-67.6-76000112.9
270K52Low44.8Very low188 Ų188148.2 Ų148.282%0.81782%0.823SS**  trans-140.3136.3158.3-69.3-171.7178.6-178.60109.4L268L268-K270 PolarHBondContact O-N 3.09Å
271P44.3Very low44.6Very low116 Ų116146.4 Ų146.475%0.75382%0.817SS**  trans-76.4156.8177.431.9-34.4000111.9
272P46.5Very low44Very low128 Ų128144 Ų14483%0.83181%0.813SS**  trans-82.2148.1-175.733.8-35.3000112.1
273S43.1Very low43.3Very low108 Ų108147 Ų14776%0.75582%0.821SS**  trans-141.6114.4171.2-600000111.7
274L45.2Very low42.3Very low171 Ų171146.9 Ų146.990%0.89582%0.82SS**  trans57.4108.1148.7-53.1-179.9000118.9
275R47.9Very low42Very low239 Ų239145.7 Ų145.790%0.90282%0.815SS**  trans-57.8145.6158.4-27.1172.1-162.8164.65109.4
276L40.1Very low42.4Very low167 Ų167148.5 Ų148.587%0.87482%0.817SS**  trans-164.9115135.7-129.273.4000110.4
277C41.2Very low43Very low133 Ų133153.2 Ų153.290%0.89981%0.814SS**  trans-134.7130.6165.2-68.60000108.9
278P46.9Very low43.5Very low124 Ų124152.7 Ų152.781%0.80581%0.807SS**  trans-118.5136.4152.812.58.1000112
279K40.3Very low43.9Very low198 Ų198154 Ų15486%0.86181%0.809SS**  trans-66.4158.3172.8-66.6167.5169.1175.10112
280R36.9Very low45.3Very low203 Ų203150.7 Ų150.777%0.76680%0.802SS**  166.6163.8100.2-82.5-171.9-153.2-166.19113.4
281Y33.5Very low46Very low185 Ų185146.7 Ų146.773%0.72580%0.795SS**  trans67.4110.1170.8-60.8-78.2000115.5
282T36Very low47Very low103 Ų103146.3 Ų146.363%0.63279%0.793SS**  85127.350.467.50000115.4
283N33.6Very low47.9Very low163 Ų163146.2 Ų146.287%0.87279%0.792SS**  trans83.8138.1160.4-47.9-25.7000118
284G34.6Very low48.9Very low68 Ų68147.7 Ų147.770%0.70179%0.79SS**  trans13291.5153.600000116.9
285S40.8Very low49.6Very low115 Ų115144.3 Ų144.380%0.80478%0.778SS**  trans38.3113.6145.757.30000121K287S285-K287 PolarHBondContact O-N 3.17Å
286D52.3Low50.3Low159 Ų159139 Ų13985%0.8578%0.775SS**  trans-1.9112.1140.2-176.122.5000117.6
287K58Low51.1Low182 Ų182141.4 Ų141.479%0.79177%0.772SS**  trans-157.4136.7150-156.3170-174176.90109S285 E289S285-K287 PolarHBondContact O-N 3.17Å; K287-E289 PolarHBondContact O-N 3.11Å; K287-E289 VanDerWaalsContact O-N 3.11Å
288P55.6Low51.2Low109 Ų109143.1 Ų143.171%0.70877%0.769SS**  trans-68.2110.4168.926.8-32.2000109.2V290P288-V290 PolarHBondContact O-N 3.33Å
289E56Low51.4Low186 Ų186144.8 Ų144.887%0.86977%0.769SS**  trans-71.897.5175.7-168.8173.217100109.5K287K287-E289 PolarHBondContact O-N 3.11Å; K287-E289 VanDerWaalsContact O-N 3.11Å
290V67.3Low51.8Low120 Ų120144.3 Ų144.373%0.72777%0.767SS**PPolyproline II helixtrans-61.6125.2173.11780000108.1P288P288-V290 PolarHBondContact O-N 3.33Å
291P65.9Low52.5Low104 Ų104140.8 Ų140.868%0.67577%0.769SS**PPolyproline II helixtrans-61.5140.1179.625.6-34.1000110.1
292P64.3Low53.4Low108 Ų108138.3 Ų138.370%0.70177%0.773SS**PPolyproline II helixtrans-61142.7-177.624.8-34000110.9I294P292-I294 PolarHBondContact O-N 2.98Å
293P65.8Low54Low126 Ų126140.9 Ų140.982%0.81878%0.778SS**PPolyproline II helixtrans-61.2133.5-177.324.1-33.3000111.3
294I64.9Low54.7Low138 Ų138139.4 Ų139.471%0.70878%0.781SS**PPolyproline II helixtrans-65.6126.6-179.3-57.5170.8000108.7P292P292-I294 PolarHBondContact O-N 2.98Å
295P59.1Low55.6Low101 Ų101146.7 Ų146.766%0.65679%0.787SS**PPolyproline II helixtrans-63.8142.3176.625.8-33.7000110.7R297P295-R297 PolarHBondContact O-N 2.62Å
296P62.3Low56.2Low128 Ų128151.4 Ų151.483%0.83179%0.787SS**PPolyproline II helixtrans-61.6122.9-177.524.8-33.5000110.4M298P296-M298 PolarHBondContact O-N 2.73Å
297R57.2Low55.9Low216 Ų216156.1 Ų156.182%0.81579%0.793SS**PPolyproline II helixtrans-64.9126.9175.7-65-177.5-177.3126.71.4108.8P295 I299P295-R297 PolarHBondContact O-N 2.62Å; R297-I299 PolarHBondContact O-N 2.95Å
298M44Very low55.5Low170 Ų170151.4 Ų151.484%0.83778%0.783SS**  trans-59.3111.2174.2-66.2176.572.200109.6P296 K300P296-M298 PolarHBondContact O-N 2.73Å; M298-K300 PolarHBondContact O-N 2.71Å
299I51.2Low55.4Low158 Ų158151 Ų15181%0.8179%0.788SS**  trans-73.593.3175.6-38172.8000107.2R297 T301R297-I299 PolarHBondContact O-N 2.95Å; I299-T301 PolarHBondContact O-N 2.84Å
300K47.7Very low54.9Low188 Ų188150.6 Ų150.682%0.81779%0.787SS**  trans-71.2102.2167.8-80.3-170.6173.7-176.30108.1M298 T302M298-K300 PolarHBondContact O-N 2.71Å; K300-T302 PolarHBondContact O-N 3.18Å
301T52.2Low54Low130 Ų130151 Ų15180%0.79879%0.789SS**  trans-57.199.9168.839.50000110.8I299I299-T301 PolarHBondContact O-N 2.84Å
302T52.2Low53.3Low133 Ų133151.3 Ų151.382%0.81679%0.794SS**SBendtrans-167.9144.2141.6-69.20000106.9K300K300-T302 PolarHBondContact O-N 3.18Å
303E49Very low52.6Low156 Ų156152.3 Ų152.373%0.72980%0.801SS**  trans68.767.7179.9-156.1165.4-13500116.5
304S48.4Very low51.9Low133 Ų133149.6 Ų149.693%0.9380%0.795SS**  trans-138.645.1156-70.10000111
305R53.8Low51.1Low220 Ų220147.5 Ų147.583%0.8380%0.799SS**  trans-149.966.1175.3-152.3-152.1-56.8-99.98.5112
306R53.1Low50.5Low215 Ų215153 Ų15381%0.81181%0.808SS**SBendtrans-135.37.2169.3-137.7175.6-173.1172.51.5115.6
307W46.5Very low50.3Low258 Ų258152.1 Ų152.198%0.97781%0.805SS**  trans-118.384.7161.8-70.4-17.4000108.9
308S49.8Very low50.3Low83 Ų83146.5 Ų146.558%0.5879%0.791SS**  trans-143.8117.2162.5-64.30000106.1E310S308-E310 PolarHBondContact O-N 3.01Å
309A52.8Low50.8Low99 Ų99145.8 Ų145.882%0.81879%0.791SS**  trans-77.1100.5-179.600000108.6V311A309-V311 PolarHBondContact O-N 3.15Å
310E45.7Very low51.5Low178 Ų178146.1 Ų146.183%0.83279%0.794SS**  trans-94.292.2168.4-69.3-176-144.900107.9S308 S312S308-E310 PolarHBondContact O-N 3.01Å; E310-S312 PolarHBondContact O-N 2.99Å
311V48.3Very low52.5Low128 Ų128142.7 Ų142.778%0.77678%0.779SS**  trans-74.7110.3172.1176.90000107.8A309 P313A309-V311 PolarHBondContact O-N 3.15Å; V311-P313 WeakPolarHBondContact O-CD 3.02Å
312S50.4Low53.6Low111 Ų111141.7 Ų141.778%0.77678%0.775SS**  trans-76.9119.1169.5-64.50000110.2E310 G314E310-S312 PolarHBondContact O-N 2.99Å; S312-G314 PolarHBondContact O-N 3.02Å
313P50.7Low54.5Low130 Ų130140.6 Ų140.684%0.84477%0.77SS**  trans-88.2106.5174.833.1-28.6000109.7V311V311-P313 WeakPolarHBondContact O-CD 3.02Å
314G50Low55.4Low69 Ų69142.6 Ų142.671%0.71178%0.776SS**  trans-174.1120.1178.300000115.3S312S312-G314 PolarHBondContact O-N 3.02Å
315A48.5Very low56.3Low94 Ų94141 Ų14178%0.77776%0.757SS**SBendtrans73.3106.816700000119.1
316Y47.6Very low57.2Low215 Ų215135.5 Ų135.584%0.84375%0.75SS**  trans62.586.1140.7-85.7-95.6000119.8D318Y316-D318 PolarHBondContact O-N 2.88Å; Y316-D318 VanDerWaalsContact O-N 3.12Å
317S57.2Low58Low111 Ų111130.8 Ų130.878%0.77675%0.747SS**  32.572.6111.2-178.30000116.7
318D57.2Low59Low97 Ų97128 Ų12852%0.51974%0.736SS.*  trans-137.522.7162.5-15737.4000112.7Y316 K321Y316-D318 PolarHBondContact O-N 2.88Å; Y316-D318 VanDerWaalsContact O-N 3.12Å; D318-K321 WeakPolarHBondContact OD1-CE 3.31Å; D318-K321 IonicContact OD1-NZ 3.62Å; D318-K321 PolarHBondContact OD1-NZ 2.99Å; D318-K321 WeakPolarHBondContact OD2-CD 3.48Å; D318-K321 IonicContact OD2-NZ 2.62Å; D318-K321 PolarHBondContact OD2-NZ 3.09Å
319D54.8Low59.5Low156 Ų156129.3 Ų129.383%0.83474%0.737SS**  trans-90.25.1-167.1-67.3-77.1000115.7K321D319-K321 VanDerWaalsContact C-N 3.29Å
320D65.7Low59.4Low165 Ų165133.9 Ų133.988%0.88274%0.741SS**  trans-97.430.6169.5-16236.8000112.5
321K69.3Low59.7Low115 Ų115132.9 Ų132.950%0.573%0.734SS.*SBendtrans-106.1116.8167.6-68.8173.3-177.3164.40107.2D318 D319D318-K321 WeakPolarHBondContact OD1-CE 3.31Å; D318-K321 IonicContact OD1-NZ 3.62Å; D318-K321 PolarHBondContact OD1-NZ 2.99Å; D318-K321 WeakPolarHBondContact OD2-CD 3.48Å; D318-K321 IonicContact OD2-NZ 2.62Å; D318-K321 PolarHBondContact OD2-NZ 3.09Å; D319-K321 VanDerWaalsContact C-N 3.29Å
322P74.6Confident59.8Low110 Ų110132.5 Ų132.571%0.71473%0.734SS**  trans-54.9140.9171.624.6-33.2000108.3K324P322-K324 PolarHBondContact O-N 3.47Å; P322-K324 VanDerWaalsContact O-N 3.17Å
323P71.9Confident60.1Low110 Ų110136.8 Ų136.871%0.71473%0.734SS**  trans-52.6129.1-172.520.8-33.2000109.1L325P323-L325 PolarHBondContact O-N 2.83Å
324K67.5Low60.1Low197 Ų197135.7 Ų135.786%0.85773%0.729SS**  trans-61.488.2179-72176.9-178.1170.60108.5P322P322-K324 PolarHBondContact O-N 3.47Å; P322-K324 VanDerWaalsContact O-N 3.17Å
325L66.1Low60.4Low100 Ų100139.9 Ų139.952%0.52473%0.733SS.*  trans-56.7135.8172.8-62.7-179.7000106.6P323P323-L325 PolarHBondContact O-N 2.83Å
326P73.6Confident60.7Low104 Ų104138.9 Ų138.968%0.67572%0.72SS**  trans-52.3144.3169.824.7-33.6000108R328P326-R328 PolarHBondContact O-N 2.85Å
327P69.5Low61.5Low117 Ų117140.6 Ų140.676%0.7673%0.725SS**  trans-45.5118.5177.3-28.234.9000108.6D329P327-D329 PolarHBondContact O-N 3.18Å
328R67.2Low61.6Low199 Ų199139.9 Ų139.975%0.75172%0.717SS**  trans-68.796.9171.8-79.5-170176.399.5-0.8105P326 H330P326-R328 PolarHBondContact O-N 2.85Å; R328-H330 PolarHBondContact O-N 3.46Å
329D59.9Low61.6Low110 Ų110141 Ų14159%0.58873%0.729SS**  trans-43.7133.4166.7-69-50.8000107.4P327 F331P327-D329 PolarHBondContact O-N 3.18Å; D329-F331 HydrophobicContact CB-CD2 3.93Å; D329-F331 HydrophobicContact CB-CE1 4.4Å; D329-F331 HydrophobicContact CB-CE2 3.7Å; D329-F331 HydrophobicContact CB-CG 4.39Å; D329-F331 HydrophobicContact CB-CZ 3.94Å; D329-F331 VanDerWaalsContact O-CD2 3.31Å; D329-F331 WeakPolarHBondContact O-CD2 3.33Å; D329-F331 PolarHBondContact O-N 3.14Å
330H52.1Low61.8Low195 Ų195136.8 Ų136.890%0.90371%0.712SS**  trans-7266.1173.2-71.1-90.7000108.6R328R328-H330 PolarHBondContact O-N 3.46Å
331F51.5Low61.7Low157 Ų157135.1 Ų135.169%0.68971%0.71SS**  trans-52.2126.1175.8-74.4-73.3000108D329 R333D329-F331 HydrophobicContact CB-CD2 3.93Å; D329-F331 HydrophobicContact CB-CE1 4.4Å; D329-F331 HydrophobicContact CB-CE2 3.7Å; D329-F331 HydrophobicContact CB-CG 4.39Å; D329-F331 HydrophobicContact CB-CZ 3.94Å; D329-F331 VanDerWaalsContact O-CD2 3.31Å; D329-F331 WeakPolarHBondContact O-CD2 3.33Å; D329-F331 PolarHBondContact O-N 3.14Å; F331-R333 PolarHBondContact O-N 3.33Å
332P49.8Very low61.9Low121 Ų121138.1 Ų138.179%0.78672%0.723SS**SBendtrans-59.9109.5179.223.6-32.8000108.7S334P332-S334 PolarHBondContact O-N 3.12Å
333R57.9Low62.3Low201 Ų201137.7 Ų137.776%0.75872%0.723SS**  trans16.883.8172.1-172.3178.2-70.6-132.6-2.3113.5F331 I335F331-R333 PolarHBondContact O-N 3.33Å; R333-I335 PolarHBondContact O-N 2.69Å
334S49.9Very low63.2Low106 Ų106139.3 Ų139.374%0.74173%0.725SS**  trans-39.3109.7177.3178.20000112P332 S336P332-S334 PolarHBondContact O-N 3.12Å; S334-S336 PolarHBondContact O-N 3.17Å
335I56.3Low64.2Low157 Ų157133.9 Ų133.981%0.80571%0.71SS**  trans-71.9101.2174.2-59.4174.6000106.5R333 R337R333-I335 PolarHBondContact O-N 2.69Å; I335-R337 PolarHBondContact O-N 3.45Å
336S55.6Low65.5Low73 Ų73134.7 Ų134.751%0.5172%0.719SS.*  trans-51.5122.8179.8-177.20000110.7S334 T338S334-S336 PolarHBondContact O-N 3.17Å; S336-T338 PolarHBondContact O-N 3.19Å; S336-T338 PolarHBondContact OG-O 2.8Å; S336-T338 PolarHBondContact OG-OG1 2.92Å; S336-T338 VanDerWaalsContact OG-OG1 3.06Å
337R63.3Low66.5Low251 Ų251133.4 Ų133.495%0.94770%0.701SS**SBendtrans-73.5-1.8179.1-74.6-174.8169-169.7-3.2113.9I335I335-R337 PolarHBondContact O-N 3.45Å
338T59.8Low67.6Low97 Ų97135.9 Ų135.960%0.59570%0.702SS**SBendtrans-97.3122.6163.254.60000108.8S336 S340S336-T338 PolarHBondContact O-N 3.19Å; S336-T338 PolarHBondContact OG-O 2.8Å; S336-T338 PolarHBondContact OG-OG1 2.92Å; S336-T338 VanDerWaalsContact OG-OG1 3.06Å; T338-S340 PolarHBondContact O-N 3.06Å
339P56.4Low68.9Low120 Ų120133.6 Ų133.678%0.77971%0.705SS**  trans-68.689.6170.828.9-32.7000107.9
340S59.3Low70.5Confident68 Ų68131.2 Ų131.248%0.47671%0.707SS.*  trans-58.4134.5175.1-165.60000108T338 K342 S343T338-S340 PolarHBondContact O-N 3.06Å; S340-K342 PolarHBondContact O-N 3.21Å; S340-S343 PolarHBondContact O-N 2.72Å
341P65.2Low72.6Confident129 Ų129127 Ų12784%0.83869%0.694SS**THydrogen-bonded Turntrans-68.518-172.528.6-36.9000114.5
342K72.9Confident74.7Confident179 Ų179125.8 Ų125.878%0.77869%0.693SS**THydrogen-bonded Turntrans-135.828.5-178-59.9-178.5-179.7177.10111.5S340 L344S340-K342 PolarHBondContact O-N 3.21Å; K342-L344 PolarHBondContact O-N 3.48Å
343S82.9Confident77Confident101 Ų101122.9 Ų122.971%0.70667%0.673SS**  trans-73.569.7177.262.60000111.8S340S340-S343 PolarHBondContact O-N 2.72Å
344L89.7Confident78.8Confident144 Ų144119.8 Ų119.875%0.75468%0.679SS**PPolyproline II helixtrans-72.6146.5168.8-63.3178.5000109.9K342 T346K342-L344 PolarHBondContact O-N 3.48Å; L344-T346 PolarHBondContact O-N 2.95Å
345P90Very high81Confident83 Ų83120.5 Ų120.554%0.53968%0.68SS.*PPolyproline II helixtrans-61.2136.1174.127.4-34.7000110.1Y347P345-Y347 HydrophobicContact CB-CE1 4.31Å; P345-Y347 HydrophobicContact CB-CE2 3.78Å; P345-Y347 HydrophobicContact CG-CE2 3.7Å
346T92.1Very high82.8Confident116 Ų116119.3 Ų119.371%0.71267%0.671SS**PPolyproline II helixtrans-96.8116.1177.6-58.20000109.2L344L344-T346 PolarHBondContact O-N 2.95Å
347Y94.5Very high84.7Confident77 Ų77120.4 Ų120.430%0.30268%0.678SS.*  trans-115.1142.1176.5-60.5-57.4000110.9P345 N349 G350 V351 M352 P353P345-Y347 HydrophobicContact CB-CE1 4.31Å; P345-Y347 HydrophobicContact CB-CE2 3.78Å; P345-Y347 HydrophobicContact CG-CE2 3.7Å; Y347-N349 PolarHBondContact O-N 3.43Å; Y347-G350 PolarHBondContact O-N 3.39Å; Y347-V351 WeakPolarHBondContact CB-O 3.35Å; Y347-M352 HydrophobicContact CE1-CG 4.32Å; Y347-M352 HydrophobicContact CE2-CB 4.33Å; Y347-M352 HydrophobicContact CE2-CG 4.3Å; Y347-P353 HydrophobicContact CE1-CG 4.44Å
348Q93Very high86.2Confident170 Ų170113.7 Ų113.779%0.79466%0.656SS**G310 helixtrans-63.5127.1169.8176.9167.2-7.700109.1G350 V351Q348-G350 PolarHBondContact O-N 3.14Å; Q348-V351 PolarHBondContact O-N 3.43Å
349N94Very high87.8Confident150 Ų150112 Ų11280%0.80265%0.652SS**G310 helixtrans52.918.6-175.7-61.573.9000114.7Y347 V351Y347-N349 PolarHBondContact O-N 3.43Å; N349-V351 VanDerWaalsContact C-N 3.26Å; N349-V351 HydrophobicContact CB-CG2 4.41Å; N349-V351 PolarHBondContact O-N 3.18Å
350G94.4Very high89.6Confident61 Ų61112.1 Ų112.163%0.62965%0.653SS**G310 helixtrans75.33.7-175.300000115.5Y347 Q348Y347-G350 PolarHBondContact O-N 3.39Å; Q348-G350 PolarHBondContact O-N 3.14Å
351V95.8Very high91.2Very high106 Ų106111.5 Ų111.564%0.64264%0.644SS**PPolyproline II helixtrans-82.9118.6-175.1-176.90000111Y347 Q348 N349Y347-V351 WeakPolarHBondContact CB-O 3.35Å; Q348-V351 PolarHBondContact O-N 3.43Å; N349-V351 VanDerWaalsContact C-N 3.26Å; N349-V351 HydrophobicContact CB-CG2 4.41Å; N349-V351 PolarHBondContact O-N 3.18Å
352M96.7Very high92.4Very high132 Ų132109.9 Ų109.965%0.6563%0.634SS**PPolyproline II helixtrans-75.2136.2176.1-170.3-177.871.800110.8Y347Y347-M352 HydrophobicContact CE1-CG 4.32Å; Y347-M352 HydrophobicContact CE2-CB 4.33Å; Y347-M352 HydrophobicContact CE2-CG 4.3Å
353P96.4Very high93.3Very high59 Ų59109.5 Ų109.538%0.38363%0.632SS.*PPolyproline II helixtrans-68.3156.5172.130.4-35.8000111.3Y347 T355Y347-P353 HydrophobicContact CE1-CG 4.44Å; P353-T355 PolarHBondContact O-N 2.88Å
354P96.9Very high93.8Very high136 Ų136112 Ų11288%0.88363%0.627SS**SBendtrans-60.5-28.8178-24.634.6000114
355T95.3Very high93.9Very high122 Ų122107.4 Ų107.475%0.74861%0.605SS**  trans-143.3151.4-179.958.80000111.1P353P353-T355 PolarHBondContact O-N 2.88Å
356Q95.4Very high93.6Very high131 Ų131107.7 Ų107.761%0.61261%0.609SS**  trans-121.2127.5168.3178.7177.5-25.300108.3
357S94.9Very high92.5Very high96 Ų96106.5 Ų106.567%0.67160%0.604SS**  trans-79.4140.5-179.7-172.90000112A359S357-A359 WeakPolarHBondContact OG-CB 3.24Å; S357-A359 PolarHBondContact OG-N 2.87Å
358F95.6Very high91.2Very high110 Ų110112.5 Ų112.548%0.48263%0.626SS.*  trans-110.35.7168.9-68.2-93.2000112.2D361 Y364F358-D361 WeakPolarHBondContact O-CB 3.31Å; F358-D361 PolarHBondContact O-N 3.02Å; F358-Y364 HydrophobicContact CB-CD2 3.84Å; F358-Y364 HydrophobicContact CB-CG 3.81Å; F358-Y364 HydrophobicContact CD1-CD2 4.23Å; F358-Y364 HydrophobicContact CD1-CE2 4.25Å; F358-Y364 HydrophobicContact CG-CD2 4.22Å; F358-Y364 HydrophobicContact CG-CG 4.16Å
359A93.3Very high89.6Confident62 Ų62108.1 Ų108.151%0.51261%0.614SS.*THydrogen-bonded Turntrans-65.8142178.500000111.3S357 V365S357-A359 WeakPolarHBondContact OG-CB 3.24Å; S357-A359 PolarHBondContact OG-N 2.87Å; A359-V365 HydrophobicContact CB-CG2 3.67Å
360P93.4Very high87.7Confident123 Ų123110.6 Ų110.680%0.79962%0.618SS**THydrogen-bonded Turncis-97.523.59.239.3-36.9000115.1P362P360-P362 WeakPolarHBondContact O-CD 3.32Å; P360-P362 VanDerWaalsContact O-N 3.15Å
361D93.4Very high85.8Confident55 Ų55114.9 Ų114.929%0.29462%0.621SS.*  trans-61.2116.9-176.6-175.6-16.5000111.3F358 K363 Y364 V365F358-D361 WeakPolarHBondContact O-CB 3.31Å; F358-D361 PolarHBondContact O-N 3.02Å; D361-K363 PolarHBondContact O-N 3.38Å; D361-K363 VanDerWaalsContact O-N 3.09Å; D361-K363 VanDerWaalsContact OD1-CB 3.31Å; D361-K363 WeakPolarHBondContact OD1-CB 3.32Å; D361-K363 VanDerWaalsContact OD1-CG 3.32Å; D361-K363 WeakPolarHBondContact OD1-CG 3.29Å; D361-K363 PolarHBondContact OD1-N 2.93Å; D361-Y364 HydrophobicContact CB-CD2 4.01Å; D361-Y364 PolarHBondContact O-N 3.14Å; D361-V365 PolarHBondContact O-N 3.06Å
362P89Confident83.8Confident95 Ų95116 Ų11662%0.61761%0.614SS**THydrogen-bonded Turntrans-67.8-8-176.429.6-37.2000114P360 Y364P360-P362 WeakPolarHBondContact O-CD 3.32Å; P360-P362 VanDerWaalsContact O-N 3.15Å; P362-Y364 VanDerWaalsContact C-N 3.3Å
363K92.8Very high81.8Confident171 Ų171119 Ų11974%0.74363%0.626SS**THydrogen-bonded Turntrans-69.7-29.6168.5-64.4170.5-174165.70112.6D361D361-K363 PolarHBondContact O-N 3.38Å; D361-K363 VanDerWaalsContact O-N 3.09Å; D361-K363 VanDerWaalsContact OD1-CB 3.31Å; D361-K363 WeakPolarHBondContact OD1-CB 3.32Å; D361-K363 VanDerWaalsContact OD1-CG 3.32Å; D361-K363 WeakPolarHBondContact OD1-CG 3.29Å; D361-K363 PolarHBondContact OD1-N 2.93Å
364Y92.7Very high79.6Confident153 Ų153121.6 Ų121.660%0.664%0.637SS**THydrogen-bonded Turntrans-113.4-24.3-175.6-57.3-78.3000112.2F358 D361 P362F358-Y364 HydrophobicContact CB-CD2 3.84Å; F358-Y364 HydrophobicContact CB-CG 3.81Å; F358-Y364 HydrophobicContact CD1-CD2 4.23Å; F358-Y364 HydrophobicContact CD1-CE2 4.25Å; F358-Y364 HydrophobicContact CG-CD2 4.22Å; F358-Y364 HydrophobicContact CG-CG 4.16Å; D361-Y364 HydrophobicContact CB-CD2 4.01Å; D361-Y364 PolarHBondContact O-N 3.14Å; P362-Y364 VanDerWaalsContact C-N 3.3Å
365V91.3Very high77.7Confident47 Ų47120.1 Ų120.129%0.28563%0.63SS.*SBendtrans-97.3116.3175.3-177.70000110.3A359 D361 C367A359-V365 HydrophobicContact CB-CG2 3.67Å; D361-V365 PolarHBondContact O-N 3.06Å; V365-C367 PolarHBondContact O-N 3.09Å; V365-C367 VanDerWaalsContact O-N 3.15Å
366S83.8Confident75.8Confident89 Ų89119.5 Ų119.562%0.62262%0.618SS**  trans-68110.4172.3-179.40000111R368 C369S366-R368 PolarHBondContact O-N 2.89Å; S366-C369 PolarHBondContact O-N 3.1Å; S366-C369 PolarHBondContact O-SG 3.45Å
367C69.5Low74.1Confident91 Ų91114.6 Ų114.662%0.61560%0.603SS**G310 helixtrans-60.4-7.4-179.2-56.60000115V365 C369V365-C367 PolarHBondContact O-N 3.09Å; V365-C367 VanDerWaalsContact O-N 3.15Å; C367-C369 VanDerWaalsContact C-N 3.25Å; C367-C369 PolarHBondContact O-N 3.48Å
368R68.4Low72.8Confident203 Ų203114.4 Ų114.477%0.76660%0.602SS**G310 helixtrans-79.1-1.3177.1-60.2-160.9-167.8-95.48.1114S366 F370 H371S366-R368 PolarHBondContact O-N 2.89Å; R368-F370 PolarHBondContact O-N 2.9Å; R368-H371 PolarHBondContact O-N 3.29Å; R368-H371 VanDerWaalsContact O-N 3.12Å
369C58.5Low72Confident79 Ų79113.1 Ų113.153%0.53460%0.603SS.*G310 helixtrans-58.2-29.7179.954.10000114.4S366 C367 H371S366-C369 PolarHBondContact O-N 3.1Å; S366-C369 PolarHBondContact O-SG 3.45Å; C367-C369 VanDerWaalsContact C-N 3.25Å; C367-C369 PolarHBondContact O-N 3.48Å; C369-H371 PolarHBondContact O-N 2.96Å
370F54.2Low71.5Confident201 Ų201113.1 Ų113.188%0.88260%0.599SS**G310 helixtrans-67.6-10.6176.5-67.3-72.8000114.8R368R368-F370 PolarHBondContact O-N 2.9Å
371H55.5Low71.2Confident152 Ų152111.6 Ų111.670%0.70459%0.587SS**G310 helixtrans-92.6-3.9-175.9-172.855.1000114.6R368 C369R368-H371 PolarHBondContact O-N 3.29Å; R368-H371 VanDerWaalsContact O-N 3.12Å; C369-H371 PolarHBondContact O-N 2.96Å
372R53.2Low71Confident129 Ų129111.7 Ų111.749%0.48759%0.59SS.*  trans-124.481.3-170.8-66.2-164.9172.3-786.7114.7N374 E376 G377R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact NH1-O 3.37Å; R372-E376 PolarHBondContact NH1-O 3.06Å; R372-E376 PolarHBondContact NH2-O 3.25Å; R372-G377 VanDerWaalsContact CZ-CA 3.5Å
373Q55.1Low70.9Confident195 Ų195110.5 Ų110.591%0.91158%0.582SS**SBendtrans-80.8-15.4146.6-74-110.2-78.800112
374N50.2Low70.6Confident113 Ų113103.9 Ų103.960%0.60455%0.554SS**SBendtrans-106.9131.5-178.7-59.3-14.3000110.6R372 E376R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact NH1-O 3.37Å; N374-E376 PolarHBondContact O-N 3.48Å
375S56.8Low70Confident105 Ų105103.5 Ų103.573%0.73456%0.561SS**  trans-66.13.2-171.646.90000116G377S375-G377 PolarHBondContact O-N 3.4Å
376E55.9Low69.3Low109 Ų109106.8 Ų106.851%0.50958%0.577SS.*THydrogen-bonded Turntrans-7745.3-169.3-53.1-165.7148.700114.4R372 N374 Q399R372-E376 PolarHBondContact NH1-O 3.06Å; R372-E376 PolarHBondContact NH2-O 3.25Å; N374-E376 PolarHBondContact O-N 3.48Å; E376-Q399 PolarHBondContact O-NE2 3.17Å; E376-Q399 PolarHBondContact O-OE1 2.99Å
377G59Low68.6Low29 Ų29113.4 Ų113.430%0.29959%0.594SS.*THydrogen-bonded Turntrans-169.2-2.1-177.900000117.6R372 S375 Q399R372-G377 VanDerWaalsContact CZ-CA 3.5Å; S375-G377 PolarHBondContact O-N 3.4Å; G377-Q399 VanDerWaalsContact CA-OE1 3.28Å
378S68.1Low68.4Low91 Ų91111.9 Ų111.964%0.63659%0.594SS**PPolyproline II helixtrans-79.6117.916951.10000109.1
379T78.4Confident68.2Low83 Ų83107.5 Ų107.551%0.50959%0.586SS.*PPolyproline II helixtrans-60137.8173.7-39.60000110.2T381 I396 L397T379-T381 PolarHBondContact O-N 3.15Å; T379-I396 HydrophobicContact CG2-CG2 3.34Å; T379-L397 WeakPolarHBondContact CG2-O 3.12Å
380C83.1Confident69.1Low63 Ų63105.5 Ų105.543%0.42657%0.573SS.*EExtended strand (participates in β ladder)trans-80.5118.6-178.2178.60000110.1L397C380-L397 HydrophobicContact CB-CB 4.15Å; C380-L397 PolarHBondContact O-N 3.03Å
381T87.1Confident70.5Confident91 Ų91102.1 Ų102.156%0.55856%0.564SS**EExtended strand (participates in β ladder)trans-109.4119.2179.454.60000110.7T379 Y395T379-T381 PolarHBondContact O-N 3.15Å; T381-Y395 CarbonylContact C-O 3.52Å; T381-Y395 WeakPolarHBondContact CA-O 3.34Å
382V87.8Confident72.1Confident57 Ų57100.2 Ų100.235%0.34556%0.563SS.*EExtended strand (participates in β ladder)trans-115.4130.2-176.4-1760000110.2Y394 Y395 L397V382-Y394 CarbonylContact O-C 3.57Å; V382-Y394 WeakPolarHBondContact O-CA 3.4Å; V382-Y395 PolarHBondContact N-O 3.02Å; V382-Y395 PolarHBondContact O-N 3.2Å; V382-L397 HydrophobicContact CG2-CD1 3.79Å; V382-L397 HydrophobicContact CG2-CG 4.32Å
383P87.4Confident73.8Confident69 Ų6999.7 Ų99.745%0.44857%0.566SS.*EExtended strand (participates in β ladder)trans-68.6149.8178.629-35.6000112.4I385 Y394P383-I385 HydrophobicContact CG-CD1 4.44Å; P383-I385 HydrophobicContact CG-CG1 4.31Å; P383-I385 PolarHBondContact O-N 3.22Å; P383-Y394 HydrophobicContact CB-CD1 4.13Å; P383-Y394 HydrophobicContact CB-CE1 4.04Å
384I86.8Confident75.6Confident33 Ų3396.6 Ų96.617%0.16955%0.547CS..  trans-8894.3175.3-53.9-177.1000109.5L386 H393 Y395I384-L386 HydrophobicContact CG2-CD1 3.76Å; I384-L386 HydrophobicContact CG2-CG 3.98Å; I384-L386 PolarHBondContact O-N 3.18Å; I384-L386 VanDerWaalsContact O-N 3.17Å; I384-H393 HydrophobicContact CD1-CB 3.73Å; I384-H393 WeakPolarHBondContact CG1-O 3.36Å; I384-Y395 HydrophobicContact CB-CE2 4.46Å; I384-Y395 HydrophobicContact CD1-CE2 4.21Å; I384-Y395 HydrophobicContact CG1-CD2 3.87Å; I384-Y395 HydrophobicContact CG1-CE2 3.72Å; I384-Y395 HydrophobicContact CG2-CE2 4.39Å
385I79.4Confident77.4Confident145 Ų14597.7 Ų97.774%0.74454%0.543SS*.  trans-87.579.6177.7-48.6175.7000109.1P383P383-I385 HydrophobicContact CG-CD1 4.44Å; P383-I385 HydrophobicContact CG-CG1 4.31Å; P383-I385 PolarHBondContact O-N 3.22Å
386L78.4Confident79Confident116 Ų11698.7 Ų98.761%0.60754%0.539SS*.  trans-100.6162.7165.2-75.3166.5000109.2I384 G388I384-L386 HydrophobicContact CG2-CD1 3.76Å; I384-L386 HydrophobicContact CG2-CG 3.98Å; I384-L386 PolarHBondContact O-N 3.18Å; I384-L386 VanDerWaalsContact O-N 3.17Å; L386-G388 CarbonylContact O-C 3.58Å; L386-G388 PolarHBondContact O-N 3.27Å
387K68.3Low80.5Confident227 Ų22797.4 Ų97.499%0.98754%0.535SS*.SBendtrans-75.560.1-176.9-163.5179.5-179.6-178.50111.6
388G65.1Low81.6Confident59 Ų59101.5 Ų101.561%0.60856%0.556SS**SBendtrans14887.1-16100000107.8L386L386-G388 CarbonylContact O-C 3.58Å; L386-G388 PolarHBondContact O-N 3.27Å
389D63.5Low81.7Confident111 Ų111101.8 Ų101.859%0.59455%0.548SS*.  trans-71.2128.4-159-52-65.5000113.9N391D389-N391 PolarHBondContact O-N 3.29Å
390S78.4Confident80.8Confident38 Ų38108.8 Ų108.827%0.26657%0.565SS.*  trans-87.383.7172-169.40000110.6T392 H393S390-T392 PolarHBondContact O-N 3.06Å; S390-H393 PolarHBondContact O-N 2.86Å; S390-H393 WeakPolarHBondContact OG-CB 3.21Å; S390-H393 PolarHBondContact OG-ND1 3.41Å
391N83.7Confident79.5Confident130 Ų130109.1 Ų109.170%0.69557%0.568SS**THydrogen-bonded Turntrans-66.4-3.6180-67.6-16.4000114.3D389D389-N391 PolarHBondContact O-N 3.29Å
392T88.7Confident77.9Confident112 Ų112108.9 Ų108.969%0.68757%0.57SS**THydrogen-bonded Turntrans-113.3-17.3-175.550.20000114.3S390S390-T392 PolarHBondContact O-N 3.06Å
393H88.9Confident76.1Confident117 Ų117114.7 Ų114.754%0.54259%0.591SS.*  trans-121.8140.1-174.6-61.175.9000111.9I384 S390I384-H393 HydrophobicContact CD1-CB 3.73Å; I384-H393 WeakPolarHBondContact CG1-O 3.36Å; S390-H393 PolarHBondContact O-N 2.86Å; S390-H393 WeakPolarHBondContact OG-CB 3.21Å; S390-H393 PolarHBondContact OG-ND1 3.41Å
394Y91.9Very high74.2Confident130 Ų130115.1 Ų115.151%0.5160%0.6SS.*EExtended strand (participates in β ladder)trans-134.9142.9-179.7-62.8-98.8000108.8V382 P383 I396V382-Y394 CarbonylContact O-C 3.57Å; V382-Y394 WeakPolarHBondContact O-CA 3.4Å; P383-Y394 HydrophobicContact CB-CD1 4.13Å; P383-Y394 HydrophobicContact CB-CE1 4.04Å; Y394-I396 PolarHBondContact O-N 3.4Å
395Y88.6Confident72.2Confident137 Ų137121.1 Ų121.154%0.53763%0.633SS.*EExtended strand (participates in β ladder)trans-72.6125.9167.5-70.1-66.8000109.5T381 V382 I384T381-Y395 CarbonylContact C-O 3.52Å; T381-Y395 WeakPolarHBondContact CA-O 3.34Å; V382-Y395 PolarHBondContact N-O 3.02Å; V382-Y395 PolarHBondContact O-N 3.2Å; I384-Y395 HydrophobicContact CB-CE2 4.46Å; I384-Y395 HydrophobicContact CD1-CE2 4.21Å; I384-Y395 HydrophobicContact CG1-CD2 3.87Å; I384-Y395 HydrophobicContact CG1-CE2 3.72Å; I384-Y395 HydrophobicContact CG2-CE2 4.39Å
396I91.7Very high70.4Confident125 Ų125118.8 Ų118.864%0.64163%0.629SS**EExtended strand (participates in β ladder)trans-100.7102.9175.4-58.2-177.6000107.1T379 Y394T379-I396 HydrophobicContact CG2-CG2 3.34Å; Y394-I396 PolarHBondContact O-N 3.4Å
397L86.9Confident68.8Low83 Ų83118.4 Ų118.444%0.43564%0.636SS.*EExtended strand (participates in β ladder)trans-88.4134.5-178.5-60.4-179.7000110.4T379 C380 V382 Q399T379-L397 WeakPolarHBondContact CG2-O 3.12Å; C380-L397 HydrophobicContact CB-CB 4.15Å; C380-L397 PolarHBondContact O-N 3.03Å; V382-L397 HydrophobicContact CG2-CD1 3.79Å; V382-L397 HydrophobicContact CG2-CG 4.32Å; L397-Q399 PolarHBondContact O-N 2.93Å
398P81.3Confident67.6Low114 Ų114112.9 Ų112.974%0.7463%0.625SS**  trans-53.1136.7168.9-24.934.1000110.4R400P398-R400 PolarHBondContact O-N 3.36Å
399Q69.7Low66.5Low97 Ų97116.4 Ų116.445%0.45363%0.63SS.*  trans-59113.8172.9-179.7-173.3-19.800108.5E376 G377 L397 S401E376-Q399 PolarHBondContact O-NE2 3.17Å; E376-Q399 PolarHBondContact O-OE1 2.99Å; G377-Q399 VanDerWaalsContact CA-OE1 3.28Å; L397-Q399 PolarHBondContact O-N 2.93Å; Q399-S401 PolarHBondContact O-N 3.05Å
400R59.5Low65.6Low230 Ų230115.8 Ų115.887%0.86863%0.633SS**  trans-64123.6169-72.6-170174.3156.31.8107.7P398P398-R400 PolarHBondContact O-N 3.36Å
401S55.8Low64.1Low71 Ų71122.1 Ų122.150%0.49766%0.658SS.*  trans-62.1137.3168.449.20000108.4Q399 F403 A404Q399-S401 PolarHBondContact O-N 3.05Å; S401-F403 PolarHBondContact O-N 2.99Å; S401-A404 PolarHBondContact O-N 3.02Å
402S54.9Low62.5Low86 Ų86121 Ų12160%0.60166%0.657SS**THydrogen-bonded Turntrans-61.6-2.2175.533.20000113.7
403F49.4Very low60.5Low179 Ų179124.9 Ų124.979%0.78566%0.664SS**THydrogen-bonded Turntrans-86.9-6.1178.4-71.1-82.5000114.8S401S401-F403 PolarHBondContact O-N 2.99Å
404A47.7Very low58.3Low78 Ų78130.5 Ų130.565%0.64568%0.68SS**SBendtrans-90.3-14.5-178.700000114.7S401S401-A404 PolarHBondContact O-N 3.02Å
405D43.6Very low56.4Low158 Ų158133.3 Ų133.385%0.84570%0.695SS**  trans-110.817.5-173.6-105.8-20.8000113.7S407D405-S407 PolarHBondContact O-N 3.33Å; D405-S407 VanDerWaalsContact O-N 3.12Å
406S43.1Very low54.7Low96 Ų96132.3 Ų132.367%0.67170%0.703SS**  trans-73.6102.2164.962.10000108.9C408S406-C408 PolarHBondContact O-N 3.19Å; S406-C408 VanDerWaalsContact O-N 3.11Å
407S43.8Very low52.7Low108 Ų108132.3 Ų132.376%0.75570%0.704SS**  trans-52120.2170.957.40000109.4D405 D409D405-S407 PolarHBondContact O-N 3.33Å; D405-S407 VanDerWaalsContact O-N 3.12Å; S407-D409 PolarHBondContact O-N 3.03Å
408C43.6Very low50.6Low111 Ų111136.9 Ų136.975%0.7573%0.728SS**  trans-65.897177.441.90000109.9S406 C410S406-C408 PolarHBondContact O-N 3.19Å; S406-C408 VanDerWaalsContact O-N 3.11Å; C408-C410 PolarHBondContact O-N 3.48Å; C408-C410 PolarHBondContact O-SG 3.39Å
409D41.7Very low49.4Very low134 Ų134141.6 Ų141.672%0.71775%0.754SS**  trans-76.763.2178.4-162.31.8000110.8S407 H411S407-D409 PolarHBondContact O-N 3.03Å; D409-H411 PolarHBondContact O-N 3.11Å
410C45.6Very low48.4Very low98 Ų98143.8 Ų143.866%0.66277%0.769SS**  trans-86.729.4-174.657.70000113.4C408C408-C410 PolarHBondContact O-N 3.48Å; C408-C410 PolarHBondContact O-SG 3.39Å
411H46.3Very low47.8Very low170 Ų170139.3 Ų139.379%0.78776%0.764SS**  trans-131.938.2-175.9-84.8-52.8000116D409D409-H411 PolarHBondContact O-N 3.11Å
412T48.9Very low47.3Very low108 Ų108143.1 Ų143.166%0.66378%0.779SS**  trans-132.3126.1160.564.20000115.1
413K47.7Very low46.9Very low192 Ų192146.4 Ų146.484%0.83579%0.79SS**  trans66.8101.4159-48.3-176.1-166.8-1780118.9
414R43.3Very low46.7Very low236 Ų236144.4 Ų144.489%0.89179%0.79SS**  -156.187.7112.8-111.1178.9-72.5175.4-1.7111.2V416R414-V416 HydrophobicContact CG-CG2 4.22Å
415K50.3Low46.6Very low188 Ų188148.8 Ų148.882%0.81780%0.799SS**  trans-94.6105154.4-163179.6-176.6-170.30104.9
416V53.8Low46.9Very low117 Ų117148.1 Ų148.171%0.70980%0.796SS**  trans-109123.1169174.10000104.8R414R414-V416 HydrophobicContact CG-CG2 4.22Å
417D49.5Very low47.2Very low125 Ų125152.2 Ų152.267%0.66881%0.806SS**  trans-69.1139.1-174.8-59.2-63000110.6
418L43.6Very low47.4Very low179 Ų179155.8 Ų155.894%0.93781%0.81SS**  trans-82.2129.1163.6-122.874.1000107.5
419V54.9Low47.8Very low212 Ų212159.9 Ų159.9100%1.28582%0.816SS**  trans-105.60163.7176.90000107.5

Retrieved 419 of 419 residues in 315.8 ms (Link to these results)